3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide

C14H13BrN2O3S — CID 55641528

IUPAC3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C14H13BrN2O3S/c15-12-5-2-4-11(8-12)14(18)17-9-10-3-1-6-13(7-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKeyFBZJIUBTNYWKNP-UHFFFAOYSA-N
MW369.24 g/mol
LogP2.03
Rot. Bonds4

About 3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide

3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide (PubChem CID 55641528) has the molecular formula C14H13BrN2O3S and a molecular weight of 369.24 g/mol. Its IUPAC name is 3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide
PubChem CID55641528
Molecular FormulaC14H13BrN2O3S
Molecular Weight369.24 g/mol
Exact Mass367.98
IUPAC Name3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide
SMILESNS(=O)(=O)c1cccc(CNC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C14H13BrN2O3S/c15-12-5-2-4-11(8-12)14(18)17-9-10-3-1-6-13(7-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)
InChIKeyFBZJIUBTNYWKNP-UHFFFAOYSA-N
XLogP2.03
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.24
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-bromo-2-hydroxyphenyl)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 166221897
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CID 55577848
4-bromo-1-methyl-N-[(3-sulfamoylphenyl)methyl]pyrrole-2-carboxamide
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3-bromo-N-[[3-(N'-hydroxycarbamimidoyl)phenyl]methyl]benzamide
CID 76932708
N-ethyl-3-sulfamoylbenzamide
CID 43089872
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CID 63978563
3-bromo-N-[[4-(methoxymethyl)phenyl]methyl]benzamide
CID 39271149
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
5-(4-bromophenyl)-N-[(3-sulfamoylphenyl)methyl]pentanamide
CID 55852739
2-(6-bromonaphthalen-2-yl)oxy-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 52681070
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
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3-bromo-N-[(3-fluoro-4-methylphenyl)methyl]benzamide
CID 25316330

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide?
The IUPAC name of 3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide (CID 55641528) is 3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide.
What is the SMILES notation for 3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide?
The canonical SMILES for 3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide is NS(=O)(=O)c1cccc(CNC(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide?
The InChIKey is FBZJIUBTNYWKNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O3S/c15-12-5-2-4-11(8-12)14(18)17-9-10-3-1-6-13(7-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20).
What are the key properties of 3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide?
3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide has a molecular weight of 369.24 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-sulfamoylphenyl)methyl]benzamide is sourced from PubChem (CID 55641528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).