4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide

C19H27BrN2O3S — CID 55594278

IUPAC4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(N(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)C2CC2)CC1
InChIInChI=1S/C19H27BrN2O3S/c1-13-4-7-15(8-5-13)22(16-9-10-16)19(23)14-6-11-17(20)18(12-14)26(24,25)21(2)3/h6,11-13,15-16H,4-5,7-10H2,1-3H3
InChIKeyVTSULQXUZAGXNC-UHFFFAOYSA-N
MW443.41 g/mol
LogP3.88
Rot. Bonds5

About 4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide

4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide (PubChem CID 55594278) has the molecular formula C19H27BrN2O3S and a molecular weight of 443.41 g/mol. Its IUPAC name is 4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide
PubChem CID55594278
Molecular FormulaC19H27BrN2O3S
Molecular Weight443.41 g/mol
Exact Mass442.09
IUPAC Name4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide
SMILESCC1CCC(N(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)C2CC2)CC1
InChIInChI=1S/C19H27BrN2O3S/c1-13-4-7-15(8-5-13)22(16-9-10-16)19(23)14-6-11-17(20)18(12-14)26(24,25)21(2)3/h6,11-13,15-16H,4-5,7-10H2,1-3H3
InChIKeyVTSULQXUZAGXNC-UHFFFAOYSA-N
XLogP3.88
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.41
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-(dimethylsulfamoyl)-N,N-dimethylbenzamide
CID 43011499
4-bromo-N-[2-(dimethylamino)-2-oxoethyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 9227114
4-bromo-3-(dimethylsulfamoyl)-N,N-bis(2-methoxyethyl)benzamide
CID 43010416
N-benzyl-4-bromo-N-(1-cyclopropylethyl)-3-(dimethylsulfamoyl)benzamide
CID 55558311
2-oxopropyl 4-bromo-3-(dimethylsulfamoyl)benzoate
CID 7975289
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[(1S)-1-phenylethyl]benzamide
CID 26698316
4-bromo-N-(3-cyclohexyloxypropyl)-3-(dimethylsulfamoyl)benzamide
CID 31719944
4-bromo-3-(dimethylsulfamoyl)-N-ethyl-N-naphthalen-2-ylbenzamide
CID 60607346
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9476078
4-chloro-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide
CID 43000186
4-bromo-N-[cyclopropyl(phenyl)methyl]-3-(dimethylsulfamoyl)benzamide
CID 43037303
4-bromo-3-(dimethylsulfamoyl)-N-methyl-N-(2-phenoxyethyl)benzamide
CID 46798216

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide?
The IUPAC name of 4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide (CID 55594278) is 4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide.
What is the SMILES notation for 4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide?
The canonical SMILES for 4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide is CC1CCC(N(C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)C2CC2)CC1.
What is the InChIKey of 4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide?
The InChIKey is VTSULQXUZAGXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrN2O3S/c1-13-4-7-15(8-5-13)22(16-9-10-16)19(23)14-6-11-17(20)18(12-14)26(24,25)21(2)3/h6,11-13,15-16H,4-5,7-10H2,1-3H3.
What are the key properties of 4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide?
4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide has a molecular weight of 443.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-cyclopropyl-3-(dimethylsulfamoyl)-N-(4-methylcyclohexyl)benzamide is sourced from PubChem (CID 55594278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).