2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide

C18H27ClN2O3S — CID 32916652

IUPAC2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC1CCC(N(C)C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)CC1
InChIInChI=1S/C18H27ClN2O3S/c1-12(2)20-25(23,24)15-9-10-17(19)16(11-15)18(22)21(4)14-7-5-13(3)6-8-14/h9-14,20H,5-8H2,1-4H3
InChIKeyLZZXFOMPFVTINY-UHFFFAOYSA-N
MW386.95 g/mol
LogP3.68
Rot. Bonds5

About 2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide

2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide (PubChem CID 32916652) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is 2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide
PubChem CID32916652
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC Name2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide
SMILESCC1CCC(N(C)C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)CC1
InChIInChI=1S/C18H27ClN2O3S/c1-12(2)20-25(23,24)15-9-10-17(19)16(11-15)18(22)21(4)14-7-5-13(3)6-8-14/h9-14,20H,5-8H2,1-4H3
InChIKeyLZZXFOMPFVTINY-UHFFFAOYSA-N
XLogP3.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(ethylsulfamoyl)-N,2-dimethyl-N-(4-methylcyclohexyl)benzamide
CID 32916846
2-chloro-N-cyclohexyl-5-(propan-2-ylsulfamoyl)benzamide
CID 51160947
5-amino-2-chloro-N-cyclopropyl-N-methylbenzamide
CID 43264488
N,2-dimethyl-N-(4-methylcyclohexyl)-5-piperidin-1-ylsulfonylbenzamide
CID 55372562
N-tert-butyl-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 51285596
2-chloro-N-methoxy-5-(propan-2-ylsulfamoyl)benzamide
CID 51316610
2-chloro-5-[[(1S)-1-cyclopentylethyl]sulfamoyl]benzoic acid
CID 81389268
2-chloro-5-[(4-methylcyclohexyl)sulfamoyl]benzoic acid
CID 43082280
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-cyclopropyl-5-methylsulfonylbenzamide
CID 78852755
2-chloro-N-[2-(ethylamino)-2-oxoethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55406988
N,2-dimethyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 32915727
N-methyl-N-(4-methylcyclohexyl)-4-methylsulfonylbenzamide
CID 25482097

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide (CID 32916652) is 2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide is CC1CCC(N(C)C(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)CC1.
What is the InChIKey of 2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide?
The InChIKey is LZZXFOMPFVTINY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2O3S/c1-12(2)20-25(23,24)15-9-10-17(19)16(11-15)18(22)21(4)14-7-5-13(3)6-8-14/h9-14,20H,5-8H2,1-4H3.
What are the key properties of 2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide?
2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide has a molecular weight of 386.95 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methyl-N-(4-methylcyclohexyl)-5-(propan-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 32916652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).