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

C20H17BrN2O3S — CID 1116088

IUPACN-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C20H17BrN2O3S/c1-14-4-2-6-18(12-14)23-27(25,26)19-7-3-5-15(13-19)20(24)22-17-10-8-16(21)9-11-17/h2-13,23H,1H3,(H,22,24)
InChIKeyUMWZQAJHTABUJM-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.81
Rot. Bonds5

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

N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide (PubChem CID 1116088) has the molecular formula C20H17BrN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
PubChem CID1116088
Molecular FormulaC20H17BrN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.01
IUPAC NameN-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
SMILESCc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Br)cc3)c2)c1
InChIInChI=1S/C20H17BrN2O3S/c1-14-4-2-6-18(12-14)23-27(25,26)19-7-3-5-15(13-19)20(24)22-17-10-8-16(21)9-11-17/h2-13,23H,1H3,(H,22,24)
InChIKeyUMWZQAJHTABUJM-UHFFFAOYSA-N
XLogP4.81
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 1287289
3-[[3-[(4-bromophenyl)carbamoyl]phenyl]sulfonylamino]benzoate
CID 6965043
N-(4-methylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 3284384
3-[[3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 6963605
N-(4-bromophenyl)-3-[(4-chlorophenyl)sulfamoyl]benzamide
CID 1087366
3-[(3,5-dimethylphenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 109065731
methyl 4-[[3-[(4-bromophenyl)sulfamoyl]benzoyl]amino]benzoate
CID 26583412
N-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 51163012
N-(3-methoxyphenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 27167566
N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-4-chloro-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3483233
N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 1013069
3-[(3-methylphenyl)sulfamoyl]benzoate
CID 7040416

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide (CID 1116088) is N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide is Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Br)cc3)c2)c1.
What is the InChIKey of N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
The InChIKey is UMWZQAJHTABUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3S/c1-14-4-2-6-18(12-14)23-27(25,26)19-7-3-5-15(13-19)20(24)22-17-10-8-16(21)9-11-17/h2-13,23H,1H3,(H,22,24).
What are the key properties of N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide?
N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide has a molecular weight of 445.34 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[(3-methylphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 1116088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).