1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C13H16ClNO5S — CID 43172932

IUPAC1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NC2(C(=O)O)CCCC2)cc1Cl
InChIInChI=1S/C13H16ClNO5S/c1-20-11-5-4-9(8-10(11)14)21(18,19)15-13(12(16)17)6-2-3-7-13/h4-5,8,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyAFTJERNUMTYUDA-UHFFFAOYSA-N
MW333.79 g/mol
LogP2.02
Rot. Bonds5

About 1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 43172932) has the molecular formula C13H16ClNO5S and a molecular weight of 333.79 g/mol. Its IUPAC name is 1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID43172932
Molecular FormulaC13H16ClNO5S
Molecular Weight333.79 g/mol
Exact Mass333.04
IUPAC Name1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)NC2(C(=O)O)CCCC2)cc1Cl
InChIInChI=1S/C13H16ClNO5S/c1-20-11-5-4-9(8-10(11)14)21(18,19)15-13(12(16)17)6-2-3-7-13/h4-5,8,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyAFTJERNUMTYUDA-UHFFFAOYSA-N
XLogP2.02
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-dimethoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81165222
1-[(3-bromo-4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 106605170
1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 974157
1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 115776568
1-(3-chloro-4-methoxyanilino)cyclopentane-1-carboxylic acid
CID 71564864
1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361594
1-[(4-tert-butylphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679392
1-[(2-methoxy-5-methylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120684633
3-chloro-N-(2,6-dichlorophenyl)-4-methoxybenzenesulfonamide
CID 113098935
1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 103862710
1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172930
1-[(3-fluorophenyl)sulfonylamino]cycloheptane-1-carboxylic acid
CID 43341837

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 43172932) is 1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is COc1ccc(S(=O)(=O)NC2(C(=O)O)CCCC2)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is AFTJERNUMTYUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO5S/c1-20-11-5-4-9(8-10(11)14)21(18,19)15-13(12(16)17)6-2-3-7-13/h4-5,8,15H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 333.79 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43172932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).