Name: Name:3,4-dimethyl-5-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid
Brand: Angene
SKU: AG019OB2
Rating: 90 (10 reviews)

3,4-dimethyl-5-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid

CAS No.:

494838-94-7

Catalog Number:

AG019OB2

Molecular Formula:

C15H21NO4S

Molecular Weight:

311.3965

Catalog Number:

AG019OB2

Chemical Name:

3,4-dimethyl-5-[(4-methylpiperidin-1-yl)sulfonyl]benzoic acid

CAS Number:

494838-94-7

Molecular Formula:

C15H21NO4S

Molecular Weight:

311.3965

MDL Number:

MFCD01417121

IUPAC Name:

3,4-dimethyl-5-(4-methylpiperidin-1-yl)sulfonylbenzoic acid

InChI:

InChI=1S/C15H21NO4S/c1-10-4-6-16(7-5-10)21(19,20)14-9-13(15(17)18)8-11(2)12(14)3/h8-10H,4-7H2,1-3H3,(H,17,18)

InChI Key:

LETYSSRRWOHJQM-UHFFFAOYSA-N

SMILES:

CC1CCN(CC1)S(=O)(=O)c1cc(cc(c1C)C)C(=O)O

Complexity:

476

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

311.119g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

311.396g/mol

Monoisotopic Mass:

311.119g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.6