Name: Name:1-((4'-chloro-[1,1'-biphenyl])-4-sulfonamido)cyclohexane-1-carboxylic acid
Brand: Angene
SKU: AG00H1Q8
Rating: 90 (10 reviews)

1-((4'-chloro-[1,1'-biphenyl])-4-sulfonamido)cyclohexane-1-carboxylic acid

CAS No.:

885269-38-5

Catalog Number:

AG00H1Q8

Molecular Formula:

C19H20ClNO4S

Molecular Weight:

393.8844

Catalog Number:

AG00H1Q8

Chemical Name:

1-((4'-chloro-[1,1'-biphenyl])-4-sulfonamido)cyclohexane-1-carboxylic acid

CAS Number:

885269-38-5

Molecular Formula:

C19H20ClNO4S

Molecular Weight:

393.8844

MDL Number:

MFCD06409452

IUPAC Name:

1-[[4-(4-chlorophenyl)phenyl]sulfonylamino]cyclohexane-1-carboxylic acid

InChI:

InChI=1S/C19H20ClNO4S/c20-16-8-4-14(5-9-16)15-6-10-17(11-7-15)26(24,25)21-19(18(22)23)12-2-1-3-13-19/h4-11,21H,1-3,12-13H2,(H,22,23)

InChI Key:

KBGSRCCFSIWOBR-UHFFFAOYSA-N

SMILES:

OC(=O)C1(CCCCC1)NS(=O)(=O)c1ccc(cc1)c1ccc(cc1)Cl

Complexity:

581

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

393.08g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

393.882g/mol

Monoisotopic Mass:

393.08g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

91.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

4.3