3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide

C20H20BrN3O3S — CID 73353692

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide
SMILESN#CC1CCCC(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)C1
InChIInChI=1S/C20H20BrN3O3S/c21-16-7-9-17(10-8-16)24-28(26,27)19-6-2-4-15(12-19)20(25)23-18-5-1-3-14(11-18)13-22/h2,4,6-10,12,14,18,24H,1,3,5,11H2,(H,23,25)
InChIKeyVCUCHJVTPBKZRA-UHFFFAOYSA-N
MW462.37 g/mol
LogP4.06
Rot. Bonds5

About 3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide

3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide (PubChem CID 73353692) has the molecular formula C20H20BrN3O3S and a molecular weight of 462.37 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide
PubChem CID73353692
Molecular FormulaC20H20BrN3O3S
Molecular Weight462.37 g/mol
Exact Mass461.04
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide
SMILESN#CC1CCCC(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)C1
InChIInChI=1S/C20H20BrN3O3S/c21-16-7-9-17(10-8-16)24-28(26,27)19-6-2-4-15(12-19)20(25)23-18-5-1-3-14(11-18)13-22/h2,4,6-10,12,14,18,24H,1,3,5,11H2,(H,23,25)
InChIKeyVCUCHJVTPBKZRA-UHFFFAOYSA-N
XLogP4.06
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.37
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27670788
N-cyclopentyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 9164188
3-(benzamidocarbamoyl)-N-(4-bromophenyl)benzenesulfonamide
CID 27555836
N-cyclopropyl-3-[(4-ethylphenyl)sulfamoyl]benzamide
CID 109062324
N-cyclopentyl-3-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 9118857
3-[(4-bromophenyl)sulfamoyl]-N-morpholin-4-ylbenzamide
CID 167867389
3-[(4-methylphenyl)sulfamoyl]-N-piperidin-3-ylbenzamide
CID 119427455
N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 1087366
3-[(3-chlorophenyl)sulfamoyl]-N-cyclohexylbenzamide
CID 9043246
3-(1,3-benzodioxol-5-ylsulfamoyl)-N-[3-(trifluoromethyl)cyclohexyl]benzamide
CID 42936334
3-[[(4-bromobenzoyl)amino]carbamoyl]-N-(4-fluorophenyl)benzenesulfonamide
CID 2518308
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide (CID 73353692) is 3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide is N#CC1CCCC(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)C1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide?
The InChIKey is VCUCHJVTPBKZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3S/c21-16-7-9-17(10-8-16)24-28(26,27)19-6-2-4-15(12-19)20(25)23-18-5-1-3-14(11-18)13-22/h2,4,6-10,12,14,18,24H,1,3,5,11H2,(H,23,25).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide?
3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide has a molecular weight of 462.37 g/mol, XLogP of 4.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfamoyl]-N-(3-cyanocyclohexyl)benzamide is sourced from PubChem (CID 73353692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).