3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide

C17H23FN2O3S — CID 31966533

IUPAC3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1
InChIInChI=1S/C17H23FN2O3S/c1-11-2-5-13(6-3-11)19-17(21)12-4-9-15(18)16(10-12)24(22,23)20-14-7-8-14/h4,9-11,13-14,20H,2-3,5-8H2,1H3,(H,19,21)
InChIKeyXCPSSPHIQLFFCM-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.57
Rot. Bonds5

About 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide

3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide (PubChem CID 31966533) has the molecular formula C17H23FN2O3S and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide
PubChem CID31966533
Molecular FormulaC17H23FN2O3S
Molecular Weight354.45 g/mol
Exact Mass354.14
IUPAC Name3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1
InChIInChI=1S/C17H23FN2O3S/c1-11-2-5-13(6-3-11)19-17(21)12-4-9-15(18)16(10-12)24(22,23)20-14-7-8-14/h4,9-11,13-14,20H,2-3,5-8H2,1H3,(H,19,21)
InChIKeyXCPSSPHIQLFFCM-UHFFFAOYSA-N
XLogP2.57
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
3-fluoro-4-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 79180239
N-cyclopentyl-4-fluoro-3-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 27241165
3-(cyclopropylsulfamoyl)-4-fluoro-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 55581388
3-fluoro-4-[(3-methylcyclopentyl)sulfamoyl]benzoic acid
CID 114543676
4-chloro-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide
CID 43000186
4-methoxy-N-(4-methylcyclohexyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46799189
3-(cyclopropylsulfamoyl)-4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 95150216
cis-(1R,3S)-3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677585
N-[2-(cyclohexen-1-yl)ethyl]-3-(cyclopropylsulfamoyl)-4-fluorobenzamide
CID 55581111
3-(dimethylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 26877374
3-(cycloheptylsulfamoyl)-N-(4-ethylphenyl)-4-fluorobenzamide
CID 4229680

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide (CID 31966533) is 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide is CC1CCC(NC(=O)c2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide?
The InChIKey is XCPSSPHIQLFFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3S/c1-11-2-5-13(6-3-11)19-17(21)12-4-9-15(18)16(10-12)24(22,23)20-14-7-8-14/h4,9-11,13-14,20H,2-3,5-8H2,1H3,(H,19,21).
What are the key properties of 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide?
3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide has a molecular weight of 354.45 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-4-fluoro-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 31966533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).