N-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide

C13H15FN2O3S — CID 61130912

IUPACN-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
SMILESNS(=O)(=O)c1ccc(F)cc1NC(=O)C1CC=CCC1
InChIInChI=1S/C13H15FN2O3S/c14-10-6-7-12(20(15,18)19)11(8-10)16-13(17)9-4-2-1-3-5-9/h1-2,6-9H,3-5H2,(H,16,17)(H2,15,18,19)
InChIKeyXOBQIULPKMEHMK-UHFFFAOYSA-N
MW298.34 g/mol
LogP1.77
Rot. Bonds3

About N-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide

N-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide (PubChem CID 61130912) has the molecular formula C13H15FN2O3S and a molecular weight of 298.34 g/mol. Its IUPAC name is N-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
PubChem CID61130912
Molecular FormulaC13H15FN2O3S
Molecular Weight298.34 g/mol
Exact Mass298.08
IUPAC NameN-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide
SMILESNS(=O)(=O)c1ccc(F)cc1NC(=O)C1CC=CCC1
InChIInChI=1S/C13H15FN2O3S/c14-10-6-7-12(20(15,18)19)11(8-10)16-13(17)9-4-2-1-3-5-9/h1-2,6-9H,3-5H2,(H,16,17)(H2,15,18,19)
InChIKeyXOBQIULPKMEHMK-UHFFFAOYSA-N
XLogP1.77
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 51.77
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

(1S)-N-(4-fluoro-2-methylphenyl)cyclohex-3-ene-1-carboxamide
CID 8865468
N-(5-fluoro-2-sulfamoylphenyl)-2,2-dimethylcyclopentane-1-carboxamide
CID 107182877
N-[4-(cyclohex-3-ene-1-carbonylamino)-2,5-dimethylphenyl]cyclohex-3-ene-1-carboxamide
CID 42907468
N-[4-(cyclohex-3-ene-1-carbonylamino)phenyl]cyclohex-3-ene-1-carboxamide
CID 171577227
(1S)-N-(5-ethylsulfonyl-2-hydroxyphenyl)cyclohex-3-ene-1-carboxamide
CID 35978377
N-(2-bromo-5-chlorophenyl)cyclohex-3-ene-1-carboxamide
CID 81272331
N-(4-bromo-3-fluorophenyl)cyclohex-3-ene-1-carboxamide
CID 65430122
(1S)-N-(2-methyl-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 51550537
N-(5-fluoro-2-sulfamoylphenyl)-4-iodobenzamide
CID 61130930
N-(5-fluoro-2-sulfamoylphenyl)butanamide
CID 61130555
(1R)-N-[4-(sulfamoylmethyl)phenyl]cyclohex-3-ene-1-carboxamide
CID 25498236
N-(2-chloro-5-methylsulfonylphenyl)cyclohex-3-ene-1-carboxamide
CID 42907796

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide (CID 61130912) is N-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide is NS(=O)(=O)c1ccc(F)cc1NC(=O)C1CC=CCC1.
What is the InChIKey of N-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide?
The InChIKey is XOBQIULPKMEHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S/c14-10-6-7-12(20(15,18)19)11(8-10)16-13(17)9-4-2-1-3-5-9/h1-2,6-9H,3-5H2,(H,16,17)(H2,15,18,19).
What are the key properties of N-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide?
N-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide has a molecular weight of 298.34 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-sulfamoylphenyl)cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 61130912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).