2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide

C20H17BrN2O3S — CID 1303094

IUPAC2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide
SMILESCN(c1ccccc1C(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H17BrN2O3S/c1-23(27(25,26)17-10-3-2-4-11-17)19-13-6-5-12-18(19)20(24)22-16-9-7-8-15(21)14-16/h2-14H,1H3,(H,22,24)
InChIKeyXUHQNKIEJRCTJK-UHFFFAOYSA-N
MW445.34 g/mol
LogP4.53
Rot. Bonds5

About 2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide

2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide (PubChem CID 1303094) has the molecular formula C20H17BrN2O3S and a molecular weight of 445.34 g/mol. Its IUPAC name is 2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide.

Molecular Properties

Compound Name2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide
PubChem CID1303094
Molecular FormulaC20H17BrN2O3S
Molecular Weight445.34 g/mol
Exact Mass444.01
IUPAC Name2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide
SMILESCN(c1ccccc1C(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H17BrN2O3S/c1-23(27(25,26)17-10-3-2-4-11-17)19-13-6-5-12-18(19)20(24)22-16-9-7-8-15(21)14-16/h2-14H,1H3,(H,22,24)
InChIKeyXUHQNKIEJRCTJK-UHFFFAOYSA-N
XLogP4.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-((benzylamino)sulfonyl)-4-bromo-N-(4-bromophenyl)benzamide
CID 1039737
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
CID 1328033
N-(4-bromophenyl) 3-(4-bromophenylaminosulfonyl)benzamide
CID 1076689
4-bromo-N-butyl-2-(cyclohexylamino)-5-sulfamoylbenzamide
CID 126507636
2-(benzylamino)-4-bromo-N-butyl-5-sulfamoylbenzamide
CID 126508113
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
N-Benzyl-2-(toluene-4-sulfonylamino)-benzamide
CID 3545567
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
CID 992258
N-(2-methylphenyl)-2-[methyl(phenylsulfonyl)amino]benzamide
CID 1006749
4-bromo-N-(4-bromophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 1039736
N-[2-(benzylcarbamoyl)phenyl]-2-bromobenzamide
CID 1653069
N-methyl-2-({3-[(4-methylpiperidin-1-yl)sulfonyl]benzoyl}amino)benzamide
CID 3237637

Frequently Asked Questions

What is the IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide?
The IUPAC name of 2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide (CID 1303094) is 2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide.
What is the SMILES notation for 2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide?
The canonical SMILES for 2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide is CN(c1ccccc1C(=O)Nc1cccc(Br)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide?
The InChIKey is XUHQNKIEJRCTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17BrN2O3S/c1-23(27(25,26)17-10-3-2-4-11-17)19-13-6-5-12-18(19)20(24)22-16-9-7-8-15(21)14-16/h2-14H,1H3,(H,22,24).
What are the key properties of 2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide?
2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide has a molecular weight of 445.34 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzenesulfonyl(methyl)amino]-N-(3-bromophenyl)benzamide is sourced from PubChem (CID 1303094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).