N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide

C15H22N2O3S — CID 64743154

IUPACN-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide
SMILESCC1CCC(NC(=O)c2cccc(S(N)(=O)=O)c2)CC1C
InChIInChI=1S/C15H22N2O3S/c1-10-6-7-13(8-11(10)2)17-15(18)12-4-3-5-14(9-12)21(16,19)20/h3-5,9-11,13H,6-8H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyIVGULMFHKWLIFO-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.89
Rot. Bonds3

About N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide

N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide (PubChem CID 64743154) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide
PubChem CID64743154
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC NameN-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide
SMILESCC1CCC(NC(=O)c2cccc(S(N)(=O)=O)c2)CC1C
InChIInChI=1S/C15H22N2O3S/c1-10-6-7-13(8-11(10)2)17-15(18)12-4-3-5-14(9-12)21(16,19)20/h3-5,9-11,13H,6-8H2,1-2H3,(H,17,18)(H2,16,19,20)
InChIKeyIVGULMFHKWLIFO-UHFFFAOYSA-N
XLogP1.89
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,4-dimethylcyclohexyl)carbamoyl]benzoic acid
CID 64742565
N-(3,4-dimethylcyclohexyl)-3-iodobenzamide
CID 64743317
N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80712621
N-cyclopropyl-3-methylsulfonylbenzamide
CID 18105935
3-acetyl-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741564
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
4-amino-N-(3,4-dimethylcyclohexyl)benzamide
CID 64738901
4-(aminomethyl)-N-(3,4-dimethylcyclohexyl)benzamide
CID 64740085
N-(4-aminocyclohexyl)-3-methylsulfonylbenzamide;hydrochloride
CID 119478074
N-cyclopropyl-3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 51158808
N-(3,4-dimethylcyclohexyl)-2-oxo-1H-pyridine-4-carboxamide
CID 104578730
3-chloro-N-(3-methylcyclopentyl)-5-sulfamoylbenzamide
CID 114549394

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide (CID 64743154) is N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide is CC1CCC(NC(=O)c2cccc(S(N)(=O)=O)c2)CC1C.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide?
The InChIKey is IVGULMFHKWLIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10-6-7-13(8-11(10)2)17-15(18)12-4-3-5-14(9-12)21(16,19)20/h3-5,9-11,13H,6-8H2,1-2H3,(H,17,18)(H2,16,19,20).
What are the key properties of N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide?
N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide has a molecular weight of 310.42 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide is sourced from PubChem (CID 64743154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).