3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide

C21H26N2O3S — CID 109063417

IUPAC3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H26N2O3S/c1-23(16-17-9-4-2-5-10-17)27(25,26)20-14-8-11-18(15-20)21(24)22-19-12-6-3-7-13-19/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16H2,1H3,(H,22,24)
InChIKeyKUTZXZBTBHOWDP-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.57
Rot. Bonds6

About 3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide

3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide (PubChem CID 109063417) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
PubChem CID109063417
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide
SMILESCN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1
InChIInChI=1S/C21H26N2O3S/c1-23(16-17-9-4-2-5-10-17)27(25,26)20-14-8-11-18(15-20)21(24)22-19-12-6-3-7-13-19/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16H2,1H3,(H,22,24)
InChIKeyKUTZXZBTBHOWDP-UHFFFAOYSA-N
XLogP3.57
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789
3-[benzyl(methyl)sulfamoyl]-N-phenylbenzamide
CID 109064666
N-cyclohexyl-3-[(4-methoxyphenyl)-methylsulfamoyl]benzamide
CID 2598297
N-benzyl-N-methyl-3-(piperidine-1-carbonyl)benzenesulfonamide
CID 109063284
3-[methyl(2-phenylethyl)sulfamoyl]-N-pyrrolidin-3-ylbenzamide
CID 77096218
N-cycloheptyl-3-[2-(dimethylamino)ethylsulfamoyl]benzamide
CID 109063994
5-[benzyl(methyl)sulfamoyl]-2-chloro-N-[2-(cyclopentylcarbamoyl)phenyl]benzamide
CID 16548325
N-cyclopentyl-3-[methyl-[(3R)-1-methylpyrrolidin-3-yl]sulfamoyl]benzamide
CID 97194696
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
3-(dimethylsulfamoyl)-N-(4-hydroxycyclohexyl)benzamide
CID 4811461
2-[benzenesulfonyl(methyl)amino]-N-cyclooctylacetamide
CID 2988556
3-[2-aminoethyl(2-phenylethyl)sulfamoyl]-N-cyclopropylbenzamide
CID 120895786

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide?
The IUPAC name of 3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide (CID 109063417) is 3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide.
What is the SMILES notation for 3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide?
The canonical SMILES for 3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide is CN(Cc1ccccc1)S(=O)(=O)c1cccc(C(=O)NC2CCCCC2)c1.
What is the InChIKey of 3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide?
The InChIKey is KUTZXZBTBHOWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-23(16-17-9-4-2-5-10-17)27(25,26)20-14-8-11-18(15-20)21(24)22-19-12-6-3-7-13-19/h2,4-5,8-11,14-15,19H,3,6-7,12-13,16H2,1H3,(H,22,24).
What are the key properties of 3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide?
3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide has a molecular weight of 386.52 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl(methyl)sulfamoyl]-N-cyclohexylbenzamide is sourced from PubChem (CID 109063417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).