2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide

C13H10Cl2FNO2S — CID 100508280

IUPAC2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cccc(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10Cl2FNO2S/c1-17(11-4-2-3-10(16)8-11)20(18,19)13-7-9(14)5-6-12(13)15/h2-8H,1H3
InChIKeyNKNBABDQMMKWOE-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.96
Rot. Bonds3

About 2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide

2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide (PubChem CID 100508280) has the molecular formula C13H10Cl2FNO2S and a molecular weight of 334.20 g/mol. Its IUPAC name is 2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
PubChem CID100508280
Molecular FormulaC13H10Cl2FNO2S
Molecular Weight334.20 g/mol
Exact Mass332.98
IUPAC Name2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
SMILESCN(c1cccc(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C13H10Cl2FNO2S/c1-17(11-4-2-3-10(16)8-11)20(18,19)13-7-9(14)5-6-12(13)15/h2-8H,1H3
InChIKeyNKNBABDQMMKWOE-UHFFFAOYSA-N
XLogP3.96
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-N-(3,5-dichlorophenyl)-N-methylbenzenesulfonamide
CID 100507274
2-(N-(2,5-dichlorophenyl)sulfonyl-3-fluoroanilino)acetyl chloride
CID 50890453
methyl 3-[(2,5-dichlorophenyl)sulfonyl-methylamino]benzoate
CID 100509417
3-amino-4-chloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 58022194
N-(3-fluorophenyl)-N-methylbenzenesulfonamide
CID 64585359
2,5-dichloro-N-methyl-N-(2-phenylphenyl)benzenesulfonamide
CID 100509278
2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 62002038
6-amino-5-chloro-N-(3-fluorophenyl)-N-methylpyridine-3-sulfonamide
CID 64600904
3-amino-5-chloro-2-fluoro-N-(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 107733489
ethyl 2-chloro-4-[(2,5-dichlorophenyl)sulfonyl-methylamino]benzoate
CID 100509678
3-[(3-fluorophenyl)-methylsulfamoyl]pyridine-2-carbothioamide
CID 106597161
2-(N-(2,5-dichlorophenyl)sulfonyl-4-fluoroanilino)propanoyl chloride
CID 50890674

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide (CID 100508280) is 2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide is CN(c1cccc(F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide?
The InChIKey is NKNBABDQMMKWOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2FNO2S/c1-17(11-4-2-3-10(16)8-11)20(18,19)13-7-9(14)5-6-12(13)15/h2-8H,1H3.
What are the key properties of 2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide?
2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide has a molecular weight of 334.20 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(3-fluorophenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 100508280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).