3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide

C21H26N2O3S — CID 9404478

IUPAC3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H26N2O3S/c1-16-8-5-6-13-20(16)23-21(24)18-11-7-12-19(14-18)27(25,26)22-15-17-9-3-2-4-10-17/h2-4,7,9-12,14,16,20,22H,5-6,8,13,15H2,1H3,(H,23,24)/t16-,20+/m1/s1
InChIKeySQQCICQVXFZCNP-UZLBHIALSA-N
MW386.52 g/mol
LogP3.47
Rot. Bonds6

About 3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide

3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide (PubChem CID 9404478) has the molecular formula C21H26N2O3S and a molecular weight of 386.52 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide
PubChem CID9404478
Molecular FormulaC21H26N2O3S
Molecular Weight386.52 g/mol
Exact Mass386.17
IUPAC Name3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C21H26N2O3S/c1-16-8-5-6-13-20(16)23-21(24)18-11-7-12-19(14-18)27(25,26)22-15-17-9-3-2-4-10-17/h2-4,7,9-12,14,16,20,22H,5-6,8,13,15H2,1H3,(H,23,24)/t16-,20+/m1/s1
InChIKeySQQCICQVXFZCNP-UZLBHIALSA-N
XLogP3.47
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-3-(benzylsulfamoyl)benzamide
CID 119602999
3-(benzylsulfamoyl)-N-cyclopropylbenzamide
CID 9165600
N-[(1R,2S)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164435
N-[(1R,2R)-2-methylcyclohexyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164433
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(2-methylcyclohexyl)benzamide
CID 15997384
3-[(2-methoxyphenyl)sulfamoyl]-N-[(1R,2R)-2-methylcyclohexyl]benzamide
CID 9164421
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-[(1R)-2-methylcyclohexyl]benzamide
CID 137472316
3-(chloromethyl)-N-(2-methylcyclohexyl)benzamide
CID 43333330
cyclohexylmethyl 3-(benzylsulfamoyl)benzoate
CID 7666483
3-[methoxy(methyl)sulfamoyl]-N-[(1S,2S)-2-methylcyclohexyl]benzamide
CID 9273168
4-(benzenesulfonamido)-N-(2-methylcyclohexyl)benzamide
CID 25047790

Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The IUPAC name of 3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide (CID 9404478) is 3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide is C[C@@H]1CCCC[C@@H]1NC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
The InChIKey is SQQCICQVXFZCNP-UZLBHIALSA-N. The full InChI is InChI=1S/C21H26N2O3S/c1-16-8-5-6-13-20(16)23-21(24)18-11-7-12-19(14-18)27(25,26)22-15-17-9-3-2-4-10-17/h2-4,7,9-12,14,16,20,22H,5-6,8,13,15H2,1H3,(H,23,24)/t16-,20+/m1/s1.
What are the key properties of 3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide?
3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylsulfamoyl)-N-[(1S,2R)-2-methylcyclohexyl]benzamide is sourced from PubChem (CID 9404478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).