Name: Name:3-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzoic acid
Brand: Angene
SKU: AG019GIK
Rating: 90 (10 reviews)

3-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzoic acid

CAS No.:

328028-36-0

Catalog Number:

AG019GIK

Molecular Formula:

C14H19NO4S

Molecular Weight:

297.3700

Catalog Number:

AG019GIK

Chemical Name:

3-[(3,5-dimethylpiperidin-1-yl)sulfonyl]benzoic acid

CAS Number:

328028-36-0

Molecular Formula:

C14H19NO4S

Molecular Weight:

297.3700

MDL Number:

MFCD01197549

IUPAC Name:

3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoic acid

InChI:

InChI=1S/C14H19NO4S/c1-10-6-11(2)9-15(8-10)20(18,19)13-5-3-4-12(7-13)14(16)17/h3-5,7,10-11H,6,8-9H2,1-2H3,(H,16,17)

InChI Key:

NQDJZPKCSPMOQQ-UHFFFAOYSA-N

SMILES:

CC1CC(C)CN(C1)S(=O)(=O)c1cccc(c1)C(=O)O

Complexity:

446

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

297.103g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

297.369g/mol

Monoisotopic Mass:

297.103g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

83.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3