2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide

C20H22ClFN2O3S — CID 31288662

IUPAC2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C20H22ClFN2O3S/c1-24(16-5-3-2-4-6-16)28(26,27)17-10-8-15(9-11-17)23-20(25)18-12-7-14(22)13-19(18)21/h7-13,16H,2-6H2,1H3,(H,23,25)
InChIKeySWRNVZOMTHFBSP-UHFFFAOYSA-N
MW424.93 g/mol
LogP4.68
Rot. Bonds5

About 2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide

2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide (PubChem CID 31288662) has the molecular formula C20H22ClFN2O3S and a molecular weight of 424.93 g/mol. Its IUPAC name is 2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound Name2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide
PubChem CID31288662
Molecular FormulaC20H22ClFN2O3S
Molecular Weight424.93 g/mol
Exact Mass424.10
IUPAC Name2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1
InChIInChI=1S/C20H22ClFN2O3S/c1-24(16-5-3-2-4-6-16)28(26,27)17-10-8-15(9-11-17)23-20(25)18-12-7-14(22)13-19(18)21/h7-13,16H,2-6H2,1H3,(H,23,25)
InChIKeySWRNVZOMTHFBSP-UHFFFAOYSA-N
XLogP4.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.93
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-5-fluorobenzamide
CID 16563331
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
2,3-dichloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]benzamide
CID 26906917
2-chloro-N-[4-(diethylsulfamoyl)phenyl]-4-fluorobenzamide
CID 9415986
4-[(2-chloro-4-fluorobenzoyl)amino]benzenesulfonyl chloride
CID 43096347
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2,3-dimethylbenzamide
CID 52894118
N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]-4-fluorobenzamide
CID 4924314
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
4-[cyclohexyl(methyl)sulfamoyl]-N-(5-fluoro-2-methylphenyl)benzamide
CID 60616670
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 4-[cyclohexyl(methyl)sulfamoyl]benzoate
CID 46610985
N-(4-chlorophenyl)-3-[cyclohexyl(methyl)sulfamoyl]benzamide
CID 2666126

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide?
The IUPAC name of 2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide (CID 31288662) is 2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide.
What is the SMILES notation for 2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide?
The canonical SMILES for 2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide?
The InChIKey is SWRNVZOMTHFBSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN2O3S/c1-24(16-5-3-2-4-6-16)28(26,27)17-10-8-15(9-11-17)23-20(25)18-12-7-14(22)13-19(18)21/h7-13,16H,2-6H2,1H3,(H,23,25).
What are the key properties of 2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide?
2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide has a molecular weight of 424.93 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 31288662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).