5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide

C14H12BrClN2O3S — CID 35546879

IUPAC5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)ccc1Br
InChIInChI=1S/C14H12BrClN2O3S/c1-8-6-10(3-4-12(8)15)22(20,21)18-9-2-5-13(16)11(7-9)14(17)19/h2-7,18H,1H3,(H2,17,19)
InChIKeyFXYWRZZLIRVBJQ-UHFFFAOYSA-N
MW403.69 g/mol
LogP3.31
Rot. Bonds4

About 5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide

5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide (PubChem CID 35546879) has the molecular formula C14H12BrClN2O3S and a molecular weight of 403.69 g/mol. Its IUPAC name is 5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide.

Molecular Properties

Compound Name5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide
PubChem CID35546879
Molecular FormulaC14H12BrClN2O3S
Molecular Weight403.69 g/mol
Exact Mass401.94
IUPAC Name5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)ccc1Br
InChIInChI=1S/C14H12BrClN2O3S/c1-8-6-10(3-4-12(8)15)22(20,21)18-9-2-5-13(16)11(7-9)14(17)19/h2-7,18H,1H3,(H2,17,19)
InChIKeyFXYWRZZLIRVBJQ-UHFFFAOYSA-N
XLogP3.31
TPSA89.26 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 ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-bromo-5-[(3-chloro-4-methylphenyl)sulfamoyl]benzoate
CID 55925238
3-amino-4-bromo-N-(4-bromo-3-methylphenyl)benzenesulfonamide
CID 115328671
5-[(3,4-dichlorophenyl)sulfonylamino]-2-fluorobenzamide
CID 39331681
3-bromo-N-(3-bromo-4-methylphenyl)-4-chlorobenzenesulfonamide
CID 106606067
2-chloro-5-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 35546601
4-bromo-N-(3-fluoro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 7939142
4-bromo-3-methyl-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 60650327
N-(4-bromophenyl)-4-chloro-3-methylbenzenesulfonamide
CID 7718536
4-bromo-N-(4-tert-butylphenyl)-3-methylbenzenesulfonamide
CID 7938742
4-bromo-3-methyl-N-[4-(sulfamoylmethyl)phenyl]benzenesulfonamide
CID 24650335
4-chloro-N-(3-chloro-4-methylphenyl)-3-methylbenzenesulfonamide
CID 16644802
5-[(4-butylphenyl)sulfamoyl]-2-chlorobenzamide
CID 78785926

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide?
The IUPAC name of 5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide (CID 35546879) is 5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide.
What is the SMILES notation for 5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide?
The canonical SMILES for 5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide is Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)ccc1Br.
What is the InChIKey of 5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide?
The InChIKey is FXYWRZZLIRVBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClN2O3S/c1-8-6-10(3-4-12(8)15)22(20,21)18-9-2-5-13(16)11(7-9)14(17)19/h2-7,18H,1H3,(H2,17,19).
What are the key properties of 5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide?
5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide has a molecular weight of 403.69 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromo-3-methylphenyl)sulfonylamino]-2-chlorobenzamide is sourced from PubChem (CID 35546879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).