N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide

C16H17BrN2O3S — CID 55726600

IUPACN-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
SMILESO=C(NCCS(=O)(=O)NCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O3S/c17-15-8-4-7-14(11-15)16(20)18-9-10-23(21,22)19-12-13-5-2-1-3-6-13/h1-8,11,19H,9-10,12H2,(H,18,20)
InChIKeyWHRFWSALQNBACJ-UHFFFAOYSA-N
MW397.29 g/mol
LogP2.30
Rot. Bonds7

About N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide

N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide (PubChem CID 55726600) has the molecular formula C16H17BrN2O3S and a molecular weight of 397.29 g/mol. Its IUPAC name is N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
PubChem CID55726600
Molecular FormulaC16H17BrN2O3S
Molecular Weight397.29 g/mol
Exact Mass396.01
IUPAC NameN-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide
SMILESO=C(NCCS(=O)(=O)NCc1ccccc1)c1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O3S/c17-15-8-4-7-14(11-15)16(20)18-9-10-23(21,22)19-12-13-5-2-1-3-6-13/h1-8,11,19H,9-10,12H2,(H,18,20)
InChIKeyWHRFWSALQNBACJ-UHFFFAOYSA-N
XLogP2.30
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.29
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[2-(phenylsulfamoyl)ethyl]benzamide
CID 110601282
3-bromo-N-[2-(propylsulfonylamino)ethyl]benzamide
CID 51104006
N-[2-(4-benzylpiperazin-1-yl)sulfonylethyl]-3-bromobenzamide
CID 16881055
3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
CID 110345177
3-(benzylsulfamoyl)-N-[(3-bromophenyl)methyl]benzamide
CID 55577848
N-[2-(benzenesulfonamido)ethyl]-3-bromobenzamide
CID 108571471
N-[2-(2-phenylethylsulfamoyl)ethyl]benzamide
CID 7423263
N-[2-(benzylsulfamoyl)ethyl]-2-iodobenzamide
CID 55795602
N-[2-(3-bromophenyl)ethyl]benzamide
CID 90847047
N-[2-(benzylsulfamoyl)ethyl]-1-methylpyrazole-4-carboxamide
CID 87003942
3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 106333123
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-3-phenylbenzamide
CID 110345892

Frequently Asked Questions

What is the IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide?
The IUPAC name of N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide (CID 55726600) is N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide.
What is the SMILES notation for N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide?
The canonical SMILES for N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide is O=C(NCCS(=O)(=O)NCc1ccccc1)c1cccc(Br)c1.
What is the InChIKey of N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide?
The InChIKey is WHRFWSALQNBACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O3S/c17-15-8-4-7-14(11-15)16(20)18-9-10-23(21,22)19-12-13-5-2-1-3-6-13/h1-8,11,19H,9-10,12H2,(H,18,20).
What are the key properties of N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide?
N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide has a molecular weight of 397.29 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(benzylsulfamoyl)ethyl]-3-bromobenzamide is sourced from PubChem (CID 55726600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).