3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide

C13H10Cl2FNO2S — CID 8501117

IUPAC3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2FNO2S/c1-8-2-3-9(16)6-13(8)17-20(18,19)10-4-5-11(14)12(15)7-10/h2-7,17H,1H3
InChIKeyBNEUNULRZRISRR-UHFFFAOYSA-N
MW334.20 g/mol
LogP4.24
Rot. Bonds3

About 3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide

3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide (PubChem CID 8501117) has the molecular formula C13H10Cl2FNO2S and a molecular weight of 334.20 g/mol. Its IUPAC name is 3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
PubChem CID8501117
Molecular FormulaC13H10Cl2FNO2S
Molecular Weight334.20 g/mol
Exact Mass332.98
IUPAC Name3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10Cl2FNO2S/c1-8-2-3-9(16)6-13(8)17-20(18,19)10-4-5-11(14)12(15)7-10/h2-7,17H,1H3
InChIKeyBNEUNULRZRISRR-UHFFFAOYSA-N
XLogP4.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969900
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
3,4-dichloro-N-(4-fluoro-2-hydroxyphenyl)benzenesulfonamide
CID 63677626
N-[2-[(4-chloro-3-methylphenyl)sulfonylamino]-4-fluorophenyl]acetamide
CID 113093031
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178
3,4-dichloro-N-(2-cyano-4-fluorophenyl)benzenesulfonamide
CID 82682816
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
4-(ethylamino)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 62145399
N-(5-fluoro-2-methylphenyl)-1H-pyrazole-4-sulfonamide
CID 54929740
N-(5-bromo-2-methylphenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 115610711
3,4-dichloro-N-(2,4,5-trichlorophenyl)benzenesulfonamide
CID 4693261

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide (CID 8501117) is 3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide is Cc1ccc(F)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
The InChIKey is BNEUNULRZRISRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO2S/c1-8-2-3-9(16)6-13(8)17-20(18,19)10-4-5-11(14)12(15)7-10/h2-7,17H,1H3.
What are the key properties of 3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide?
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide has a molecular weight of 334.20 g/mol, XLogP of 4.24, 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-(5-fluoro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 8501117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).