2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide

C12H7Cl2F2NO2S — CID 3702583

IUPAC2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7Cl2F2NO2S/c13-7-1-3-9(14)12(5-7)20(18,19)17-11-4-2-8(15)6-10(11)16/h1-6,17H
InChIKeyCOBMKOVMMKMINS-UHFFFAOYSA-N
MW338.16 g/mol
LogP4.07
Rot. Bonds3

About 2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide

2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide (PubChem CID 3702583) has the molecular formula C12H7Cl2F2NO2S and a molecular weight of 338.16 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
PubChem CID3702583
Molecular FormulaC12H7Cl2F2NO2S
Molecular Weight338.16 g/mol
Exact Mass336.95
IUPAC Name2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1F)c1cc(Cl)ccc1Cl
InChIInChI=1S/C12H7Cl2F2NO2S/c13-7-1-3-9(14)12(5-7)20(18,19)17-11-4-2-8(15)6-10(11)16/h1-6,17H
InChIKeyCOBMKOVMMKMINS-UHFFFAOYSA-N
XLogP4.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(2-chloro-4-fluorophenyl)benzenesulfonamide
CID 26969901
N-(2-bromo-4-fluorophenyl)-2,5-dichlorobenzenesulfonamide
CID 3701608
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
2,5-dichloro-N-(2-fluoro-4-iodophenyl)benzenesulfonamide
CID 3776301
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
4-chloro-N-(2,4-difluorophenyl)-2-(trifluoromethyl)benzenesulfonamide
CID 2506765
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941
N-(2-bromo-4-chlorophenyl)-2,5-dichlorobenzenesulfonamide
CID 81273911
N-(4-amino-2-chlorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399440
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
2-chloro-N-(2-cyano-4-fluorophenyl)-5-fluorobenzenesulfonamide
CID 115972540

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide (CID 3702583) is 2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide is O=S(=O)(Nc1ccc(F)cc1F)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide?
The InChIKey is COBMKOVMMKMINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2F2NO2S/c13-7-1-3-9(14)12(5-7)20(18,19)17-11-4-2-8(15)6-10(11)16/h1-6,17H.
What are the key properties of 2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide?
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide has a molecular weight of 338.16 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide is sourced from PubChem (CID 3702583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).