3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide

C12H7Cl3FNO2S — CID 26969900

IUPAC3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl3FNO2S/c13-9-3-2-8(6-10(9)14)20(18,19)17-12-4-1-7(16)5-11(12)15/h1-6,17H
InChIKeyDJCCOGUEZVKNEP-UHFFFAOYSA-N
MW354.62 g/mol
LogP4.59
Rot. Bonds3

About 3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide

3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide (PubChem CID 26969900) has the molecular formula C12H7Cl3FNO2S and a molecular weight of 354.62 g/mol. Its IUPAC name is 3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
PubChem CID26969900
Molecular FormulaC12H7Cl3FNO2S
Molecular Weight354.62 g/mol
Exact Mass352.92
IUPAC Name3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1Cl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H7Cl3FNO2S/c13-9-3-2-8(6-10(9)14)20(18,19)17-12-4-1-7(16)5-11(12)15/h1-6,17H
InChIKeyDJCCOGUEZVKNEP-UHFFFAOYSA-N
XLogP4.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.62
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 63677626
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82682816
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261
N-(2-chloro-4-fluorophenyl)-3-cyano-4-fluorobenzenesulfonamide
CID 63235952
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
N-(2-chloro-4-fluorophenyl)-4-propylbenzenesulfonamide
CID 8500802
2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
N-(2-chloro-4-fluorophenyl)-2,3-dihydro-1H-indole-5-sulfonamide
CID 29080528
N-(2-amino-5-fluorophenyl)-3-chloro-4-fluorobenzenesulfonamide
CID 63257691
N-(2-chloro-4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 30713207
N-[5-[(2-chloro-4-fluorophenyl)sulfamoyl]-2-methoxyphenyl]acetamide
CID 7514301

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide (CID 26969900) is 3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1Cl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide?
The InChIKey is DJCCOGUEZVKNEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3FNO2S/c13-9-3-2-8(6-10(9)14)20(18,19)17-12-4-1-7(16)5-11(12)15/h1-6,17H.
What are the key properties of 3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide?
3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide has a molecular weight of 354.62 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 26969900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).