2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid

C14H18ClNO4S — CID 22019722

IUPAC2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
SMILESO=C(O)C1CCCCCC1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO4S/c15-10-6-8-11(9-7-10)21(19,20)16-13-5-3-1-2-4-12(13)14(17)18/h6-9,12-13,16H,1-5H2,(H,17,18)
InChIKeyGSJFXZOYXWQGIH-UHFFFAOYSA-N
MW331.82 g/mol
LogP2.65
Rot. Bonds4

About 2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid

2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid (PubChem CID 22019722) has the molecular formula C14H18ClNO4S and a molecular weight of 331.82 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
PubChem CID22019722
Molecular FormulaC14H18ClNO4S
Molecular Weight331.82 g/mol
Exact Mass331.06
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
SMILESO=C(O)C1CCCCCC1NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H18ClNO4S/c15-10-6-8-11(9-7-10)21(19,20)16-13-5-3-1-2-4-12(13)14(17)18/h6-9,12-13,16H,1-5H2,(H,17,18)
InChIKeyGSJFXZOYXWQGIH-UHFFFAOYSA-N
XLogP2.65
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.82
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]cyclooctane-1-carboxylic acid
CID 167746137
2-[(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)sulfonylamino]cyclooctane-1-carboxylic acid
CID 154742702
cis-(1R,2S)-2-(2,3-dihydro-1H-inden-5-ylsulfonylamino)cyclopentane-1-carboxylic acid
CID 167750721
2-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818390
4-chloro-N-[(1R,2R)-2-piperidin-1-ium-1-ylcyclohexyl]benzenesulfonamide
CID 6972183
2-[(3,5-dimethylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 64817207
N-[2-(aminomethyl)cyclohexyl]-4-chlorobenzenesulfonamide;hydrochloride
CID 119986050
4-chloro-N-(2-phenoxycyclohexyl)benzenesulfonamide
CID 2912969
4-chloro-N-(2-phenylsulfanylcyclohexyl)benzenesulfonamide
CID 2975041
2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818000
cis-(1S,2R)-2-[(4-but-2-ynoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 70215750
2-[(4-bromo-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 116527379

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid (CID 22019722) is 2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid is O=C(O)C1CCCCCC1NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid?
The InChIKey is GSJFXZOYXWQGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO4S/c15-10-6-8-11(9-7-10)21(19,20)16-13-5-3-1-2-4-12(13)14(17)18/h6-9,12-13,16H,1-5H2,(H,17,18).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid?
2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid has a molecular weight of 331.82 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 22019722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).