N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide

C12H14N2O3S — CID 64766677

IUPACN-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CC=CC2)cc1
InChIInChI=1S/C12H14N2O3S/c13-18(16,17)11-7-5-10(6-8-11)14-12(15)9-3-1-2-4-9/h1-2,5-9H,3-4H2,(H,14,15)(H2,13,16,17)
InChIKeyHHIIQOVIPPJVKU-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.24
Rot. Bonds3

About N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide

N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide (PubChem CID 64766677) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
PubChem CID64766677
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC NameN-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)C2CC=CC2)cc1
InChIInChI=1S/C12H14N2O3S/c13-18(16,17)11-7-5-10(6-8-11)14-12(15)9-3-1-2-4-9/h1-2,5-9H,3-4H2,(H,14,15)(H2,13,16,17)
InChIKeyHHIIQOVIPPJVKU-UHFFFAOYSA-N
XLogP1.24
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-oxo-N-(4-sulfamoylphenyl)pyrrolidine-3-carboxamide
CID 78982828
1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide
CID 60674860
(1S,6S)-6-(piperidine-1-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125529
N-[2-(4-sulfamoylphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 64766938
N-(4-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 18083778
(1S,6R)-6-(morpholine-4-carbonyl)-N-(4-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
CID 1125531
cis-(1S,2R)-2-[(4-sulfamoylphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 2303628
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
1-[3-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)propanoyl]-N-(4-sulfamoylphenyl)piperidine-4-carboxamide
CID 47009647
(1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 25498236
N-(2,3-dimethyl-5-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide
CID 64766850
N-[4-[4-(cyclobutanecarbonylamino)phenyl]sulfonylphenyl]cyclobutanecarboxamide
CID 9394899

Frequently Asked Questions

What is the IUPAC name of N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide?
The IUPAC name of N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide (CID 64766677) is N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide.
What is the SMILES notation for N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide?
The canonical SMILES for N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide is NS(=O)(=O)c1ccc(NC(=O)C2CC=CC2)cc1.
What is the InChIKey of N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide?
The InChIKey is HHIIQOVIPPJVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c13-18(16,17)11-7-5-10(6-8-11)14-12(15)9-3-1-2-4-9/h1-2,5-9H,3-4H2,(H,14,15)(H2,13,16,17).
What are the key properties of N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide?
N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-sulfamoylphenyl)cyclopent-3-ene-1-carboxamide is sourced from PubChem (CID 64766677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).