3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide

C13H10BrClN2O3S — CID 103988954

IUPAC3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C13H10BrClN2O3S/c14-11-3-1-2-10(12(11)15)13(18)17-8-4-6-9(7-5-8)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyDJWXFAFROWVDDX-UHFFFAOYSA-N
MW389.66 g/mol
LogP3.00
Rot. Bonds3

About 3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide

3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide (PubChem CID 103988954) has the molecular formula C13H10BrClN2O3S and a molecular weight of 389.66 g/mol. Its IUPAC name is 3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide
PubChem CID103988954
Molecular FormulaC13H10BrClN2O3S
Molecular Weight389.66 g/mol
Exact Mass387.93
IUPAC Name3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1ccc(NC(=O)c2cccc(Br)c2Cl)cc1
InChIInChI=1S/C13H10BrClN2O3S/c14-11-3-1-2-10(12(11)15)13(18)17-8-4-6-9(7-5-8)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyDJWXFAFROWVDDX-UHFFFAOYSA-N
XLogP3.00
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.66
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-chloro-N-(4-nitrophenyl)benzamide
CID 103977639
2,3-difluoro-N-(4-sulfamoylphenyl)benzamide
CID 62649490
2,3-dimethyl-N-(4-sulfamoylphenyl)benzamide
CID 2814172
3-bromo-2-chloro-N-(4-propan-2-yloxyphenyl)benzamide
CID 103988657
CID 59587869
CID 59587869
2-hydrazinyl-N-(4-sulfamoylphenyl)benzamide
CID 62234840
3-bromo-N-(4-bromo-3-fluorophenyl)-2-chlorobenzamide
CID 113402951
2-amino-3-methyl-N-(4-sulfamoylphenyl)benzamide
CID 28554911
2-[(4-chlorophenyl)sulfonylamino]-N-(4-sulfamoylphenyl)benzamide
CID 44898447
2-bromo-5-fluoro-N-(4-sulfamoylphenyl)benzamide
CID 9035116
3-bromo-2-chloro-N-(3,4-dicyanophenyl)benzamide
CID 103990852
3-bromo-2-chloro-N-(2-methylsulfonylphenyl)benzamide
CID 103983155

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide?
The IUPAC name of 3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide (CID 103988954) is 3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide?
The canonical SMILES for 3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide is NS(=O)(=O)c1ccc(NC(=O)c2cccc(Br)c2Cl)cc1.
What is the InChIKey of 3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide?
The InChIKey is DJWXFAFROWVDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN2O3S/c14-11-3-1-2-10(12(11)15)13(18)17-8-4-6-9(7-5-8)21(16,19)20/h1-7H,(H,17,18)(H2,16,19,20).
What are the key properties of 3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide?
3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide has a molecular weight of 389.66 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-chloro-N-(4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 103988954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).