1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

C13H16N2O5S — CID 43172930

IUPAC1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1ccc(S(=O)(=O)NC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C13H16N2O5S/c14-11(16)9-3-5-10(6-4-9)21(19,20)15-13(12(17)18)7-1-2-8-13/h3-6,15H,1-2,7-8H2,(H2,14,16)(H,17,18)
InChIKeyDCMIIZOAENWHGU-UHFFFAOYSA-N
MW312.35 g/mol
LogP0.46
Rot. Bonds5

About 1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid

1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (PubChem CID 43172930) has the molecular formula C13H16N2O5S and a molecular weight of 312.35 g/mol. Its IUPAC name is 1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
PubChem CID43172930
Molecular FormulaC13H16N2O5S
Molecular Weight312.35 g/mol
Exact Mass312.08
IUPAC Name1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
SMILESNC(=O)c1ccc(S(=O)(=O)NC2(C(=O)O)CCCC2)cc1
InChIInChI=1S/C13H16N2O5S/c14-11(16)9-3-5-10(6-4-9)21(19,20)15-13(12(17)18)7-1-2-8-13/h3-6,15H,1-2,7-8H2,(H2,14,16)(H,17,18)
InChIKeyDCMIIZOAENWHGU-UHFFFAOYSA-N
XLogP0.46
TPSA126.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.35
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(hydroxymethyl)cyclopentyl]sulfamoyl]benzamide
CID 62522485
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1-[(4-methoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 974157
1-[(4-phenoxyphenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 18679369
1-[(3-bromo-4-chlorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 106605170
1-[(3,4-dimethoxyphenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 81165222
1-[(3-fluoro-4-methylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361594
1-[(3-chloro-4-cyanophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 115776568
1-[(4-nitrophenyl)sulfonylamino]cyclopropane-1-carboxylic acid
CID 60728998
1-[(4-bromo-3-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 103862710
4-[[1-(aminomethyl)-2-methylcyclohexyl]sulfamoyl]benzamide
CID 120607111
1-[(4-carbamoylphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61186362

Frequently Asked Questions

What is the IUPAC name of 1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid (CID 43172930) is 1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is NC(=O)c1ccc(S(=O)(=O)NC2(C(=O)O)CCCC2)cc1.
What is the InChIKey of 1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
The InChIKey is DCMIIZOAENWHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O5S/c14-11(16)9-3-5-10(6-4-9)21(19,20)15-13(12(17)18)7-1-2-8-13/h3-6,15H,1-2,7-8H2,(H2,14,16)(H,17,18).
What are the key properties of 1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid?
1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid has a molecular weight of 312.35 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-carbamoylphenyl)sulfonylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 43172930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).