3-bromo-N-(3-sulfamoylphenyl)benzamide

C13H11BrN2O3S — CID 4236942

IUPAC3-bromo-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C13H11BrN2O3S/c14-10-4-1-3-9(7-10)13(17)16-11-5-2-6-12(8-11)20(15,18)19/h1-8H,(H,16,17)(H2,15,18,19)
InChIKeyCVRNTEBBAAFMFS-UHFFFAOYSA-N
MW355.21 g/mol
LogP2.35
Rot. Bonds3

About 3-bromo-N-(3-sulfamoylphenyl)benzamide

3-bromo-N-(3-sulfamoylphenyl)benzamide (PubChem CID 4236942) has the molecular formula C13H11BrN2O3S and a molecular weight of 355.21 g/mol. Its IUPAC name is 3-bromo-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-sulfamoylphenyl)benzamide
PubChem CID4236942
Molecular FormulaC13H11BrN2O3S
Molecular Weight355.21 g/mol
Exact Mass353.97
IUPAC Name3-bromo-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1
InChIInChI=1S/C13H11BrN2O3S/c14-10-4-1-3-9(7-10)13(17)16-11-5-2-6-12(8-11)20(15,18)19/h1-8H,(H,16,17)(H2,15,18,19)
InChIKeyCVRNTEBBAAFMFS-UHFFFAOYSA-N
XLogP2.35
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.21
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-((benzylamino)sulfonyl)-4-bromo-N-(4-bromophenyl)benzamide
CID 1039737
N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
3-(azepan-1-ylsulfonyl)-N-(3-bromophenyl)benzamide
CID 1328033
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
N-(4-bromophenyl) 3-(4-bromophenylaminosulfonyl)benzamide
CID 1076689
4-tert-butyl-N-(3-sulfamoylphenyl)benzamide
CID 2812911
2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide
CID 10383098
Sulfonamide deriv., 7f
CID 44520902
2-(2-bromophenyl)-N-(4-sulfamoylphenyl)acetamide
CID 71764398
2-(2-bromophenyl)-N-(2-fluoro-4-sulfamoylphenyl)acetamide
CID 71764401
2-(2-bromophenyl)-N-(2-bromo-4-sulfamoylphenyl)acetamide
CID 71764612
3-[[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]amino]benzenesulfonamide
CID 168284154

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 3-bromo-N-(3-sulfamoylphenyl)benzamide (CID 4236942) is 3-bromo-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-bromo-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-bromo-N-(3-sulfamoylphenyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2cccc(Br)c2)c1.
What is the InChIKey of 3-bromo-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is CVRNTEBBAAFMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O3S/c14-10-4-1-3-9(7-10)13(17)16-11-5-2-6-12(8-11)20(15,18)19/h1-8H,(H,16,17)(H2,15,18,19).
What are the key properties of 3-bromo-N-(3-sulfamoylphenyl)benzamide?
3-bromo-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 355.21 g/mol, XLogP of 2.35, 3 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)benzamide is sourced from PubChem (CID 4236942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).