Name: Name:4-[(3-methylpiperidin-1-yl)sulfonyl]benzoic acid
Brand: Angene
SKU: AG00IC0E
Rating: 90 (10 reviews)

4-[(3-methylpiperidin-1-yl)sulfonyl]benzoic acid

CAS No.:

70111-46-5

Catalog Number:

AG00IC0E

Molecular Formula:

C13H17NO4S

Molecular Weight:

283.3434

Catalog Number:

AG00IC0E

Chemical Name:

4-[(3-methylpiperidin-1-yl)sulfonyl]benzoic acid

CAS Number:

70111-46-5

Molecular Formula:

C13H17NO4S

Molecular Weight:

283.3434

MDL Number:

MFCD04035502

IUPAC Name:

4-(3-methylpiperidin-1-yl)sulfonylbenzoic acid

InChI:

InChI=1S/C13H17NO4S/c1-10-3-2-8-14(9-10)19(17,18)12-6-4-11(5-7-12)13(15)16/h4-7,10H,2-3,8-9H2,1H3,(H,15,16)

InChI Key:

LJAXOFQLRQKTES-UHFFFAOYSA-N

SMILES:

CC1CCCN(C1)S(=O)(=O)c1ccc(cc1)C(=O)O

Complexity:

420

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

283.088g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

283.342g/mol

Monoisotopic Mass:

283.088g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9