3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide

C20H23BrN2O4S — CID 55346445

IUPAC3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H23BrN2O4S/c1-27-18-12-7-14(20(24)22-16-5-3-2-4-6-16)13-19(18)28(25,26)23-17-10-8-15(21)9-11-17/h7-13,16,23H,2-6H2,1H3,(H,22,24)
InChIKeyQEPDPZLHMCJDGH-UHFFFAOYSA-N
MW467.39 g/mol
LogP4.32
Rot. Bonds6

About 3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide

3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide (PubChem CID 55346445) has the molecular formula C20H23BrN2O4S and a molecular weight of 467.39 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide
PubChem CID55346445
Molecular FormulaC20H23BrN2O4S
Molecular Weight467.39 g/mol
Exact Mass466.06
IUPAC Name3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)Nc1ccc(Br)cc1
InChIInChI=1S/C20H23BrN2O4S/c1-27-18-12-7-14(20(24)22-16-5-3-2-4-6-16)13-19(18)28(25,26)23-17-10-8-15(21)9-11-17/h7-13,16,23H,2-6H2,1H3,(H,22,24)
InChIKeyQEPDPZLHMCJDGH-UHFFFAOYSA-N
XLogP4.32
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.39
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 46556722
N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185
3-(tert-butylsulfamoyl)-N-cycloheptyl-4-methoxybenzamide
CID 26516485
N-cyclohexyl-4-methoxy-3-sulfamoylbenzamide
CID 60635033
5-(cyclohexylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 65366957
N-cyclohexyl-4-methoxy-3-(quinolin-3-ylsulfamoyl)benzamide
CID 56684157
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(1-methylpiperidin-4-yl)benzamide
CID 31098428
3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzamide
CID 166186504
N-cyclohexyl-3-[(3,5-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 4316019
3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016571
3-(cyclopentylsulfamoyl)-4-methoxy-N-(4-methylcyclohexyl)benzamide
CID 2579929
methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate
CID 25342326

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide?
The IUPAC name of 3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide (CID 55346445) is 3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide is COc1ccc(C(=O)NC2CCCCC2)cc1S(=O)(=O)Nc1ccc(Br)cc1.
What is the InChIKey of 3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide?
The InChIKey is QEPDPZLHMCJDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN2O4S/c1-27-18-12-7-14(20(24)22-16-5-3-2-4-6-16)13-19(18)28(25,26)23-17-10-8-15(21)9-11-17/h7-13,16,23H,2-6H2,1H3,(H,22,24).
What are the key properties of 3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide?
3-[(4-bromophenyl)sulfamoyl]-N-cyclohexyl-4-methoxybenzamide has a molecular weight of 467.39 g/mol, XLogP of 4.32, 6 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-cyclohexyl-4-methoxybenzamide is sourced from PubChem (CID 55346445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).