2,4-dibromo-N-(3-sulfamoylphenyl)benzamide

C13H10Br2N2O3S — CID 103885203

IUPAC2,4-dibromo-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C13H10Br2N2O3S/c14-8-4-5-11(12(15)6-8)13(18)17-9-2-1-3-10(7-9)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyZYFDAAXZKJXVNX-UHFFFAOYSA-N
MW434.11 g/mol
LogP3.11
Rot. Bonds3

About 2,4-dibromo-N-(3-sulfamoylphenyl)benzamide

2,4-dibromo-N-(3-sulfamoylphenyl)benzamide (PubChem CID 103885203) has the molecular formula C13H10Br2N2O3S and a molecular weight of 434.11 g/mol. Its IUPAC name is 2,4-dibromo-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2,4-dibromo-N-(3-sulfamoylphenyl)benzamide
PubChem CID103885203
Molecular FormulaC13H10Br2N2O3S
Molecular Weight434.11 g/mol
Exact Mass431.88
IUPAC Name2,4-dibromo-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2ccc(Br)cc2Br)c1
InChIInChI=1S/C13H10Br2N2O3S/c14-8-4-5-11(12(15)6-8)13(18)17-9-2-1-3-10(7-9)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyZYFDAAXZKJXVNX-UHFFFAOYSA-N
XLogP3.11
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.11
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dibromo-N-(3-methylphenyl)benzamide
CID 103882056
2-amino-4-bromo-N-(3-methylsulfonylphenyl)benzamide
CID 79704730
2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide
CID 107722283
2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 115539982
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
(E)-3-(4-bromophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 9412994
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 43337194
2,4-dibromo-N-(3-bromo-4-chlorophenyl)benzamide
CID 107939196
2,4-dibromo-N-(4-hydroxy-3-methylphenyl)benzamide
CID 103883202
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100
2-fluoro-N-(3-sulfamoylphenyl)-3,4-bis(trifluoromethyl)benzamide
CID 174965903
2,4-dibromo-N-(4-bromo-3-chlorophenyl)benzamide
CID 114018393

Frequently Asked Questions

What is the IUPAC name of 2,4-dibromo-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 2,4-dibromo-N-(3-sulfamoylphenyl)benzamide (CID 103885203) is 2,4-dibromo-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2,4-dibromo-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 2,4-dibromo-N-(3-sulfamoylphenyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2ccc(Br)cc2Br)c1.
What is the InChIKey of 2,4-dibromo-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is ZYFDAAXZKJXVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Br2N2O3S/c14-8-4-5-11(12(15)6-8)13(18)17-9-2-1-3-10(7-9)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20).
What are the key properties of 2,4-dibromo-N-(3-sulfamoylphenyl)benzamide?
2,4-dibromo-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 434.11 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dibromo-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 103885203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).