2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide

C15H15BrN2O3S — CID 110408216

IUPAC2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)Nc1ccccc1)c1ccccc1Br
InChIInChI=1S/C15H15BrN2O3S/c16-14-9-5-4-8-13(14)15(19)17-10-11-22(20,21)18-12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,17,19)
InChIKeyOBPHEQGJXHPSDE-UHFFFAOYSA-N
MW383.27 g/mol
LogP2.62
Rot. Bonds6

About 2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide

2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide (PubChem CID 110408216) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is 2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
PubChem CID110408216
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC Name2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)Nc1ccccc1)c1ccccc1Br
InChIInChI=1S/C15H15BrN2O3S/c16-14-9-5-4-8-13(14)15(19)17-10-11-22(20,21)18-12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,17,19)
InChIKeyOBPHEQGJXHPSDE-UHFFFAOYSA-N
XLogP2.62
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.27
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110601282
2-bromo-N-[2-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]ethyl]benzamide
CID 110345065
2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110408207
2-bromo-N-(2-chloroethyl)benzamide
CID 12793324
2-amino-N-(2-sulfamoylethyl)benzamide
CID 43551552
4-(2-methylphenyl)-4-oxo-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110606798
2-bromo-N-[2-[(2-chloroacetyl)amino]ethyl]benzamide
CID 108571223
8-[(2-bromobenzoyl)amino]octanoic acid
CID 10807216
2-bromo-N-(2-methylsulfanylethyl)benzamide
CID 51889373
2-(4-methoxyphenyl)-N-[2-(phenylsulfamoyl)ethyl]acetamide
CID 110601294
2-(1,3-dioxoisoindol-2-yl)-N-[2-(phenylsulfamoyl)ethyl]acetamide
CID 110601301
6,8-dimethyl-2-oxo-N-[2-(phenylsulfamoyl)ethyl]-1H-quinoline-3-carboxamide
CID 110615725

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide?
The IUPAC name of 2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide (CID 110408216) is 2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide is O=C(NCCS(=O)(=O)Nc1ccccc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide?
The InChIKey is OBPHEQGJXHPSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c16-14-9-5-4-8-13(14)15(19)17-10-11-22(20,21)18-12-6-2-1-3-7-12/h1-9,18H,10-11H2,(H,17,19).
What are the key properties of 2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide?
2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide has a molecular weight of 383.27 g/mol, XLogP of 2.62, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 110408216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).