5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide

C14H12BrClN2O3S — CID 9219705

IUPAC5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C14H12BrClN2O3S/c1-17-22(20,21)11-5-3-10(4-6-11)18-14(19)12-8-9(15)2-7-13(12)16/h2-8,17H,1H3,(H,18,19)
InChIKeyHNTWORQJVFKBPK-UHFFFAOYSA-N
MW403.69 g/mol
LogP3.26
Rot. Bonds4

About 5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide

5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide (PubChem CID 9219705) has the molecular formula C14H12BrClN2O3S and a molecular weight of 403.69 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
PubChem CID9219705
Molecular FormulaC14H12BrClN2O3S
Molecular Weight403.69 g/mol
Exact Mass401.94
IUPAC Name5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
SMILESCNS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1
InChIInChI=1S/C14H12BrClN2O3S/c1-17-22(20,21)11-5-3-10(4-6-11)18-14(19)12-8-9(15)2-7-13(12)16/h2-8,17H,1H3,(H,18,19)
InChIKeyHNTWORQJVFKBPK-UHFFFAOYSA-N
XLogP3.26
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.69
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-chloro-N-[4-[(2,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 100536288
5-bromo-2-chloro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 42906818
N-(4-bromophenyl)-4-(methylsulfamoyl)benzamide
CID 35436567
5-(benzenesulfonamido)-N-[4-[(4-bromophenyl)sulfamoyl]phenyl]-2-chlorobenzamide
CID 46778728
3-bromo-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 9219664
2-chloro-N-(3-chlorophenyl)-5-(methylsulfamoyl)benzamide
CID 9412137
2,5-dichloro-N-[4-(propylsulfamoyl)phenyl]benzamide
CID 17320181
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
5-bromo-2-chloro-N-[[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]carbamothioyl]benzamide
CID 43914471
2-[(4-tert-butylphenyl)sulfonylamino]-5-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide
CID 177311382
5-bromo-N-(3-chloro-4-methylphenyl)-2-methylbenzamide
CID 65307918
2,5-dichloro-N-[4-(dimethylsulfamoyl)phenyl]benzamide
CID 9494815

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide?
The IUPAC name of 5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide (CID 9219705) is 5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide is CNS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1.
What is the InChIKey of 5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide?
The InChIKey is HNTWORQJVFKBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O3S/c1-17-22(20,21)11-5-3-10(4-6-11)18-14(19)12-8-9(15)2-7-13(12)16/h2-8,17H,1H3,(H,18,19).
What are the key properties of 5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide?
5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide has a molecular weight of 403.69 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[4-(methylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 9219705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).