N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide

C22H28N2O5S2 — CID 26906898

IUPACN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H28N2O5S2/c1-24(20-6-4-3-5-7-20)31(28,29)21-14-12-19(13-15-21)23-22(25)18-10-8-17(9-11-18)16-30(2,26)27/h8-15,20H,3-7,16H2,1-2H3,(H,23,25)
InChIKeyXCUPEZOLPBZLSH-UHFFFAOYSA-N
MW464.61 g/mol
LogP3.44
Rot. Bonds7

About N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide (PubChem CID 26906898) has the molecular formula C22H28N2O5S2 and a molecular weight of 464.61 g/mol. Its IUPAC name is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide
PubChem CID26906898
Molecular FormulaC22H28N2O5S2
Molecular Weight464.61 g/mol
Exact Mass464.14
IUPAC NameN-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide
SMILESCN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1
InChIInChI=1S/C22H28N2O5S2/c1-24(20-6-4-3-5-7-20)31(28,29)21-14-12-19(13-15-21)23-22(25)18-10-8-17(9-11-18)16-30(2,26)27/h8-15,20H,3-7,16H2,1-2H3,(H,23,25)
InChIKeyXCUPEZOLPBZLSH-UHFFFAOYSA-N
XLogP3.44
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.61
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methoxymethyl)benzamide
CID 46806930
4-[cyclopentyl(methyl)sulfamoyl]-N-(4-fluorophenyl)benzamide
CID 7656086
4-[cyclopentyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 7656046
4-[cyclohexyl(methyl)sulfamoyl]-N-[3-(methanesulfonamido)phenyl]benzamide
CID 43057657
N-(4-cyclopentylsulfanylphenyl)-4-(methylsulfonylmethyl)benzamide
CID 37400585
[4-[cyclohexyl(methyl)sulfamoyl]phenyl]urea
CID 135231517
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]cyclopropanecarboxamide
CID 4924186
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 55333038
N-[[4-[cyclohexyl(methyl)sulfamoyl]phenyl]carbamothioyl]-4-fluorobenzamide
CID 4924314
N-(2-amino-2-oxoethyl)-4-[[[4-[cyclohexyl(methyl)sulfamoyl]benzoyl]amino]methyl]benzamide
CID 46494457
N-[3-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-3-oxopropyl]benzamide
CID 26906866
4-[4-[cyclohexyl(methyl)sulfamoyl]anilino]-4-oxobutanoic acid
CID 1266303

Frequently Asked Questions

What is the IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide (CID 26906898) is N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide is CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)c2ccc(CS(C)(=O)=O)cc2)cc1.
What is the InChIKey of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide?
The InChIKey is XCUPEZOLPBZLSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S2/c1-24(20-6-4-3-5-7-20)31(28,29)21-14-12-19(13-15-21)23-22(25)18-10-8-17(9-11-18)16-30(2,26)27/h8-15,20H,3-7,16H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide?
N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide has a molecular weight of 464.61 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[cyclohexyl(methyl)sulfamoyl]phenyl]-4-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 26906898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).