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

C15H15BrN2O3S — CID 110601282

IUPAC3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)Nc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O3S/c16-13-6-4-5-12(11-13)15(19)17-9-10-22(20,21)18-14-7-2-1-3-8-14/h1-8,11,18H,9-10H2,(H,17,19)
InChIKeyKKGSRPBUZDYRSU-UHFFFAOYSA-N
MW383.27 g/mol
LogP2.62
Rot. Bonds6

About 3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide

3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide (PubChem CID 110601282) has the molecular formula C15H15BrN2O3S and a molecular weight of 383.27 g/mol. Its IUPAC name is 3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
PubChem CID110601282
Molecular FormulaC15H15BrN2O3S
Molecular Weight383.27 g/mol
Exact Mass382.00
IUPAC Name3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
SMILESO=C(NCCS(=O)(=O)Nc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C15H15BrN2O3S/c16-13-6-4-5-12(11-13)15(19)17-9-10-22(20,21)18-14-7-2-1-3-8-14/h1-8,11,18H,9-10H2,(H,17,19)
InChIKeyKKGSRPBUZDYRSU-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

N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
CID 55726600
2-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110408216
N-(2-ethoxyethyl)-3-(propylsulfonylamino)benzamide
CID 60518791
3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide
CID 51104006
3-(ethylsulfonylamino)-N-(2-phenylethyl)benzamide
CID 36701806
N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471
3-(2-oxopyrrolidin-1-yl)-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110615723
2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110408207
3-(3-chloropropylsulfonylamino)-N-propylbenzamide
CID 60959205
3-(4-chlorobutylsulfonylamino)-N-propylbenzamide
CID 116815540
2-[2-[(3-bromobenzoyl)amino]ethylcarbamoyl]benzoic acid
CID 113083357
N-(3-amino-3-phenylpropyl)-3-bromobenzamide
CID 80506719

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide (CID 110601282) is 3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide is O=C(NCCS(=O)(=O)Nc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide?
The InChIKey is KKGSRPBUZDYRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2O3S/c16-13-6-4-5-12(11-13)15(19)17-9-10-22(20,21)18-14-7-2-1-3-8-14/h1-8,11,18H,9-10H2,(H,17,19).
What are the key properties of 3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide?
3-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 3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide is sourced from PubChem (CID 110601282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).