3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide

C18H28N2O3S — CID 112845274

IUPAC3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide
SMILESCCC(C)(C)C1CCC(NS(=O)(=O)c2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C18H28N2O3S/c1-4-18(2,3)14-8-10-15(11-9-14)20-24(22,23)16-7-5-6-13(12-16)17(19)21/h5-7,12,14-15,20H,4,8-11H2,1-3H3,(H2,19,21)
InChIKeyVKJLYHVUKJCYLS-UHFFFAOYSA-N
MW352.50 g/mol
LogP3.06
Rot. Bonds6

About 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide

3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide (PubChem CID 112845274) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide.

Molecular Properties

Compound Name3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide
PubChem CID112845274
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide
SMILESCCC(C)(C)C1CCC(NS(=O)(=O)c2cccc(C(N)=O)c2)CC1
InChIInChI=1S/C18H28N2O3S/c1-4-18(2,3)14-8-10-15(11-9-14)20-24(22,23)16-7-5-6-13(12-16)17(19)21/h5-7,12,14-15,20H,4,8-11H2,1-3H3,(H2,19,21)
InChIKeyVKJLYHVUKJCYLS-UHFFFAOYSA-N
XLogP3.06
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119521902
3-(8-azabicyclo[3.2.1]octan-3-ylsulfamoyl)benzamide;hydrochloride
CID 119967652
N-(1-amino-2,3-dimethylbutan-2-yl)-3-(cyclopropylsulfamoyl)benzamide;hydrochloride
CID 119605990
3-(cyclopentylsulfamoyl)-N-ethylbenzamide
CID 30830540
3-amino-N-[3-(cyclopropylsulfamoyl)phenyl]-2,2-dimethylpropanamide
CID 81486538
2-[[3-(cyclopropylsulfamoyl)benzoyl]-ethylamino]acetic acid
CID 119206284
N-(1-amino-2-methylpropan-2-yl)-3-(cyclopentylsulfamoyl)benzamide;hydrochloride
CID 119521472
3-(cyclopropylsulfamoyl)-N-methyl-N-phenylbenzamide
CID 30856164
3-tert-butyl-N-cyclopropylbenzenesulfonamide
CID 59019434
3-(cyclopentylsulfamoyl)benzenecarbothioamide
CID 24690582
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
3-(cyclopropylsulfamoyl)-N-[2-(methylamino)ethyl]benzamide;hydrochloride
CID 119500565

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide?
The IUPAC name of 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide (CID 112845274) is 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide.
What is the SMILES notation for 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide?
The canonical SMILES for 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide is CCC(C)(C)C1CCC(NS(=O)(=O)c2cccc(C(N)=O)c2)CC1.
What is the InChIKey of 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide?
The InChIKey is VKJLYHVUKJCYLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-4-18(2,3)14-8-10-15(11-9-14)20-24(22,23)16-7-5-6-13(12-16)17(19)21/h5-7,12,14-15,20H,4,8-11H2,1-3H3,(H2,19,21).
What are the key properties of 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide?
3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide has a molecular weight of 352.50 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methylbutan-2-yl)cyclohexyl]sulfamoyl]benzamide is sourced from PubChem (CID 112845274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).