Name: Name:2-methyl-5-(pyrrolidine-1-sulfonyl)benzoic acid
Brand: Angene
SKU: AG00D56W
Rating: 90 (10 reviews)

2-methyl-5-(pyrrolidine-1-sulfonyl)benzoic acid

CAS No.:

353467-90-0

Catalog Number:

AG00D56W

Molecular Formula:

C12H15NO4S

Molecular Weight:

269.3168

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Product Description

Catalog Number:

AG00D56W

Chemical Name:

2-methyl-5-(pyrrolidine-1-sulfonyl)benzoic acid

CAS Number:

353467-90-0

Molecular Formula:

C12H15NO4S

Molecular Weight:

269.3168

MDL Number:

MFCD01417128

IUPAC Name:

2-methyl-5-pyrrolidin-1-ylsulfonylbenzoic acid

InChI:

InChI=1S/C12H15NO4S/c1-9-4-5-10(8-11(9)12(14)15)18(16,17)13-6-2-3-7-13/h4-5,8H,2-3,6-7H2,1H3,(H,14,15)

InChI Key:

HVCBPPBNKIVVIY-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(ccc1C)S(=O)(=O)N1CCCC1

Properties

Complexity:

408

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

269.072g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

269.315g/mol

Monoisotopic Mass:

269.072g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101
Microsphere-based protease assays and screening application for lethal factor and factor Xa.	Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Properties