N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide

C21H23FN2O3S — CID 30500746

IUPACN-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESO=C(NCCC1=CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C21H23FN2O3S/c22-19-11-4-5-12-20(19)24-28(26,27)18-10-6-9-17(15-18)21(25)23-14-13-16-7-2-1-3-8-16/h4-7,9-12,15,24H,1-3,8,13-14H2,(H,23,25)
InChIKeyVYVWFIAVCFQOSA-UHFFFAOYSA-N
MW402.49 g/mol
LogP4.25
Rot. Bonds7

About N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide

N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide (PubChem CID 30500746) has the molecular formula C21H23FN2O3S and a molecular weight of 402.49 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
PubChem CID30500746
Molecular FormulaC21H23FN2O3S
Molecular Weight402.49 g/mol
Exact Mass402.14
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
SMILESO=C(NCCC1=CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1
InChIInChI=1S/C21H23FN2O3S/c22-19-11-4-5-12-20(19)24-28(26,27)18-10-6-9-17(15-18)21(25)23-14-13-16-7-2-1-3-8-16/h4-7,9-12,15,24H,1-3,8,13-14H2,(H,23,25)
InChIKeyVYVWFIAVCFQOSA-UHFFFAOYSA-N
XLogP4.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.49
LogP ≤ 54.25
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

1-N-[2-(cyclohexen-1-yl)ethyl]-3-N-(2-fluorophenyl)benzene-1,3-dicarboxamide
CID 109052462
3-[2-(cyclopenten-1-yl)ethylcarbamoyl]benzenesulfonyl chloride
CID 106173095
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]-N-[2-(dimethylamino)ethyl]benzamide
CID 109063514
N-[(3-fluoro-4-methylphenyl)methyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 34485319
N-[3-(dimethylamino)propyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 109064246
N-[2-(cyclohexen-1-yl)ethyl]-3-[methoxy(methyl)sulfamoyl]benzamide
CID 31364918
N-[2-(ethylamino)-2-oxoethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 18145874
3-[(2-fluorophenyl)sulfamoyl]-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]benzamide
CID 36751788
2-N-[2-(cyclohexen-1-yl)ethyl]-6-N-(2-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109095616
3-[2-(cyclohexen-1-yl)ethylsulfamoyl]benzoic acid
CID 43091539
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide
CID 55581111
3-[(2-fluorophenyl)sulfamoyl]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119511835

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide (CID 30500746) is N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide is O=C(NCCC1=CCCCC1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
The InChIKey is VYVWFIAVCFQOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3S/c22-19-11-4-5-12-20(19)24-28(26,27)18-10-6-9-17(15-18)21(25)23-14-13-16-7-2-1-3-8-16/h4-7,9-12,15,24H,1-3,8,13-14H2,(H,23,25).
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide?
N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide has a molecular weight of 402.49 g/mol, XLogP of 4.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-3-[(2-fluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 30500746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).