2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide

C17H25ClN2O3S — CID 36520929

IUPAC2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide
SMILESCN(CC1CCCCC1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C17H25ClN2O3S/c1-19(2)24(22,23)14-9-10-16(18)15(11-14)17(21)20(3)12-13-7-5-4-6-8-13/h9-11,13H,4-8,12H2,1-3H3
InChIKeyDVEJUJDYXGELTM-UHFFFAOYSA-N
MW372.92 g/mol
LogP3.24
Rot. Bonds5

About 2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide

2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide (PubChem CID 36520929) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is 2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide.

Molecular Properties

Compound Name2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide
PubChem CID36520929
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC Name2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide
SMILESCN(CC1CCCCC1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl
InChIInChI=1S/C17H25ClN2O3S/c1-19(2)24(22,23)14-9-10-16(18)15(11-14)17(21)20(3)12-13-7-5-4-6-8-13/h9-11,13H,4-8,12H2,1-3H3
InChIKeyDVEJUJDYXGELTM-UHFFFAOYSA-N
XLogP3.24
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-cyclopentyl-5-(dimethylsulfamoyl)benzamide
CID 26413035
3-chloro-5-[cyclobutylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 107100665
2-chloro-5-[cyclobutylmethyl(ethyl)sulfamoyl]benzoic acid
CID 107397553
3-bromo-4-chloro-N-(cyclohexylmethyl)-N-methylbenzenesulfonamide
CID 106611161
3-[cyclopropylmethyl(methyl)carbamoyl]-4-methylbenzenesulfonyl chloride
CID 61292517
2-chloro-5-(dimethylsulfamoyl)benzoic acid
CID 2324784
2-chloro-5-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 8960771
[(1S)-2-oxocyclohexyl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 7878762
N-(cyclobutylmethyl)-2-methoxy-N-methyl-5-sulfamoylbenzamide
CID 63933053
2,4-diamino-N-(cyclopentylmethyl)-N-methylbenzamide
CID 63632253
3-(azetidine-1-carbonyl)-4-chloro-N,N-dimethylbenzenesulfonamide
CID 78802366
5-amino-N-(cyclopentylmethyl)-N,2-dimethylbenzamide
CID 63632081

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide?
The IUPAC name of 2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide (CID 36520929) is 2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide.
What is the SMILES notation for 2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide?
The canonical SMILES for 2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide is CN(CC1CCCCC1)C(=O)c1cc(S(=O)(=O)N(C)C)ccc1Cl.
What is the InChIKey of 2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide?
The InChIKey is DVEJUJDYXGELTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c1-19(2)24(22,23)14-9-10-16(18)15(11-14)17(21)20(3)12-13-7-5-4-6-8-13/h9-11,13H,4-8,12H2,1-3H3.
What are the key properties of 2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide?
2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide has a molecular weight of 372.92 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(cyclohexylmethyl)-5-(dimethylsulfamoyl)-N-methylbenzamide is sourced from PubChem (CID 36520929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).