3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide

C20H23BrN2O3S — CID 4627509

IUPAC3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1Br
InChIInChI=1S/C20H23BrN2O3S/c1-14-7-8-15(13-19(14)21)20(24)22-16-9-11-18(12-10-16)27(25,26)23-17-5-3-2-4-6-17/h7-13,17,23H,2-6H2,1H3,(H,22,24)
InChIKeyUCZGXADNMCYUGQ-UHFFFAOYSA-N
MW451.39 g/mol
LogP4.62
Rot. Bonds5

About 3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide

3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide (PubChem CID 4627509) has the molecular formula C20H23BrN2O3S and a molecular weight of 451.39 g/mol. Its IUPAC name is 3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide.

Molecular Properties

Compound Name3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide
PubChem CID4627509
Molecular FormulaC20H23BrN2O3S
Molecular Weight451.39 g/mol
Exact Mass450.06
IUPAC Name3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide
SMILESCc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1Br
InChIInChI=1S/C20H23BrN2O3S/c1-14-7-8-15(13-19(14)21)20(24)22-16-9-11-18(12-10-16)27(25,26)23-17-5-3-2-4-6-17/h7-13,17,23H,2-6H2,1H3,(H,22,24)
InChIKeyUCZGXADNMCYUGQ-UHFFFAOYSA-N
XLogP4.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.39
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 2210829
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CID 109061223
N-[4-(acetylsulfamoyl)phenyl]-3-bromo-4-methylbenzamide
CID 4509095
3-bromo-4-tert-butyl-N-[[4-(cyclohexylsulfamoyl)phenyl]carbamothioyl]benzamide
CID 3319979
4-(cyclopentylsulfamoyl)-N-(4-ethylphenyl)benzamide
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4-[[3-(cyclohexylsulfamoyl)benzoyl]amino]benzoate
CID 6981857
N-[4-(cyclopentylsulfamoyl)phenyl]-5-fluoro-2-methylbenzamide
CID 119045157
3-bromo-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5095159
N-(4-acetamidophenyl)-4-(cyclopropylsulfamoyl)benzamide
CID 30683390
N-[4-(cyclohexylsulfamoyl)phenyl]-4-(2-methoxyethoxy)benzamide
CID 17353443
3-cyano-N-[4-(cyclohexylsulfamoyl)phenyl]benzamide
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CID 19258102

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide?
The IUPAC name of 3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide (CID 4627509) is 3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide.
What is the SMILES notation for 3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide?
The canonical SMILES for 3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide is Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1Br.
What is the InChIKey of 3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide?
The InChIKey is UCZGXADNMCYUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O3S/c1-14-7-8-15(13-19(14)21)20(24)22-16-9-11-18(12-10-16)27(25,26)23-17-5-3-2-4-6-17/h7-13,17,23H,2-6H2,1H3,(H,22,24).
What are the key properties of 3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide?
3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide has a molecular weight of 451.39 g/mol, XLogP of 4.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[4-(cyclohexylsulfamoyl)phenyl]-4-methylbenzamide is sourced from PubChem (CID 4627509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).