Name: Name:Benzoic acid, 2-methyl-5-(1-piperidinylsulfonyl)-
Brand: Angene
SKU: AG00I6BW
Rating: 90 (10 reviews)

Benzoic acid, 2-methyl-5-(1-piperidinylsulfonyl)-

CAS No.:

329908-47-6

Catalog Number:

AG00I6BW

Molecular Formula:

C13H17NO4S

Molecular Weight:

283.3434

Catalog Number:

AG00I6BW

Chemical Name:

Benzoic acid, 2-methyl-5-(1-piperidinylsulfonyl)-

CAS Number:

329908-47-6

Molecular Formula:

C13H17NO4S

Molecular Weight:

283.3434

MDL Number:

MFCD01417119

IUPAC Name:

2-methyl-5-piperidin-1-ylsulfonylbenzoic acid

InChI:

InChI=1S/C13H17NO4S/c1-10-5-6-11(9-12(10)13(15)16)19(17,18)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)

InChI Key:

VWAYHOTULMZDBG-UHFFFAOYSA-N

SMILES:

OC(=O)c1cc(ccc1C)S(=O)(=O)N1CCCCC1

Complexity:

422

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:

1.8