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

C13H13ClN2O4S — CID 115776568

IUPAC1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESN#Cc1ccc(S(=O)(=O)NC2(C(=O)O)CCCC2)cc1Cl
InChIInChI=1S/C13H13ClN2O4S/c14-11-7-10(4-3-9(11)8-15)21(19,20)16-13(12(17)18)5-1-2-6-13/h3-4,7,16H,1-2,5-6H2,(H,17,18)
InChIKeyFGNGSLBCWBQIJK-UHFFFAOYSA-N
MW328.78 g/mol
LogP1.89
Rot. Bonds4

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

1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 115776568) has the molecular formula C13H13ClN2O4S and a molecular weight of 328.78 g/mol. Its IUPAC name is 1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID115776568
Molecular FormulaC13H13ClN2O4S
Molecular Weight328.78 g/mol
Exact Mass328.03
IUPAC Name1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESN#Cc1ccc(S(=O)(=O)NC2(C(=O)O)CCCC2)cc1Cl
InChIInChI=1S/C13H13ClN2O4S/c14-11-7-10(4-3-9(11)8-15)21(19,20)16-13(12(17)18)5-1-2-6-13/h3-4,7,16H,1-2,5-6H2,(H,17,18)
InChIKeyFGNGSLBCWBQIJK-UHFFFAOYSA-N
XLogP1.89
TPSA107.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.78
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-4-cyano-N-[1-(hydroxymethyl)cyclopropyl]benzenesulfonamide
CID 115902881
1-[(3-chloro-4-methoxyphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172932
1-[(3-bromo-4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 106605170
3-chloro-4-cyano-N-(1-ethylcyclobutyl)benzenesulfonamide
CID 115673536
2-[(3-chloro-4-cyanophenyl)sulfonylamino]acetic acid
CID 112685913
1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43172930
3-chloro-4-cyano-N-(3-hydroxyspiro[3.3]heptan-1-yl)benzenesulfonamide
CID 126826642
3-chloro-4-cyano-N-[(1-methylcyclobutyl)methyl]benzenesulfonamide
CID 103737647
1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361594
3-chloro-4-cyano-N-propan-2-ylbenzenesulfonamide
CID 112684851
3-chloro-4-cyano-N-[(1-methylsulfanylcyclobutyl)methyl]benzenesulfonamide
CID 107270940
1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 103862710

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 115776568) is 1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is N#Cc1ccc(S(=O)(=O)NC2(C(=O)O)CCCC2)cc1Cl.
What is the InChIKey of 1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is FGNGSLBCWBQIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O4S/c14-11-7-10(4-3-9(11)8-15)21(19,20)16-13(12(17)18)5-1-2-6-13/h3-4,7,16H,1-2,5-6H2,(H,17,18).
What are the key properties of 1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 328.78 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 115776568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).