4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide

C19H15BrN2O3S — CID 24643343

IUPAC4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H15BrN2O3S/c20-15-5-4-6-17(13-15)21-19(23)14-9-11-16(12-10-14)22-26(24,25)18-7-2-1-3-8-18/h1-13,22H,(H,21,23)
InChIKeyMGAAUPNSUCUBRC-UHFFFAOYSA-N
MW431.31 g/mol
LogP4.50
Rot. Bonds5

About 4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide

4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide (PubChem CID 24643343) has the molecular formula C19H15BrN2O3S and a molecular weight of 431.31 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
PubChem CID24643343
Molecular FormulaC19H15BrN2O3S
Molecular Weight431.31 g/mol
Exact Mass430.00
IUPAC Name4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C19H15BrN2O3S/c20-15-5-4-6-17(13-15)21-19(23)14-9-11-16(12-10-14)22-26(24,25)18-7-2-1-3-8-18/h1-13,22H,(H,21,23)
InChIKeyMGAAUPNSUCUBRC-UHFFFAOYSA-N
XLogP4.50
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.31
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 17459459
4-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)benzamide
CID 1253766
4-(benzenesulfonamido)-N-[3-(4-tert-butylbenzoyl)phenyl]benzamide
CID 92676676
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-(3-bromophenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 26537602
4-[(4-bromophenyl)sulfonylamino]-N-(3-cyanophenyl)benzamide
CID 2083431
4-(benzenesulfonamido)-N-[(3-bromophenyl)methylideneamino]benzamide
CID 4620480
3-(benzenesulfonamido)-N-naphthalen-2-ylbenzamide
CID 41448840
N-(4-bromo-2-methylphenyl)-4-(phenylsulfamoyl)benzamide
CID 51545693
N-[3-(benzenesulfonamido)phenyl]-4-methylsulfanylbenzamide
CID 78875489
N-(3-methoxyphenyl)-4-(phenylsulfamoyl)benzamide
CID 27167578
methyl 3-bromo-5-[[3-(phenylsulfamoyl)benzoyl]amino]benzoate
CID 142738628

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide (CID 24643343) is 4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide is O=C(Nc1cccc(Br)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide?
The InChIKey is MGAAUPNSUCUBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN2O3S/c20-15-5-4-6-17(13-15)21-19(23)14-9-11-16(12-10-14)22-26(24,25)18-7-2-1-3-8-18/h1-13,22H,(H,21,23).
What are the key properties of 4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide?
4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide has a molecular weight of 431.31 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-(3-bromophenyl)benzamide is sourced from PubChem (CID 24643343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).