2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide

C14H11Cl2F2NO2S — CID 8500581

IUPAC2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C14H11Cl2F2NO2S/c1-7-5-10(15)8(2)14(13(7)16)22(20,21)19-12-4-3-9(17)6-11(12)18/h3-6,19H,1-2H3
InChIKeyJEMMZBXFNXLDAL-UHFFFAOYSA-N
MW366.22 g/mol
LogP4.69
Rot. Bonds3

About 2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide

2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide (PubChem CID 8500581) has the molecular formula C14H11Cl2F2NO2S and a molecular weight of 366.22 g/mol. Its IUPAC name is 2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide
PubChem CID8500581
Molecular FormulaC14H11Cl2F2NO2S
Molecular Weight366.22 g/mol
Exact Mass364.99
IUPAC Name2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide
SMILESCc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(F)cc2F)c1Cl
InChIInChI=1S/C14H11Cl2F2NO2S/c1-7-5-10(15)8(2)14(13(7)16)22(20,21)19-12-4-3-9(17)6-11(12)18/h3-6,19H,1-2H3
InChIKeyJEMMZBXFNXLDAL-UHFFFAOYSA-N
XLogP4.69
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.22
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dichloro-N-(2-chloro-3-pyridinyl)-3,6-dimethylbenzenesulfonamide
CID 26969811
2,5-dichloro-N-(4-fluoro-3-nitrophenyl)-3,6-dimethylbenzenesulfonamide
CID 8501184
2,5-dichloro-N-(2,4-difluorophenyl)benzenesulfonamide
CID 3702583
N-(2-chloro-5-fluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107528083
4-chloro-N-(2,4-difluorophenyl)-2-fluorobenzenesulfonamide
CID 4968602
N-(2,4-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 3312178
4-amino-N-(4-chloro-2-fluorophenyl)-2,6-dimethylbenzenesulfonamide
CID 79569031
N-(2,4-difluorophenyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 22773457
N-(3-aminophenyl)-2,5-dichloro-3,6-dimethylbenzenesulfonamide
CID 43602656
N-(2,4-difluorophenyl)-2-methyl-6-nitrobenzenesulfonamide
CID 60532982
2,5-dichloro-3,6-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
CID 8519137
2,4-difluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 5020613

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide (CID 8500581) is 2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide is Cc1cc(Cl)c(C)c(S(=O)(=O)Nc2ccc(F)cc2F)c1Cl.
What is the InChIKey of 2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide?
The InChIKey is JEMMZBXFNXLDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2F2NO2S/c1-7-5-10(15)8(2)14(13(7)16)22(20,21)19-12-4-3-9(17)6-11(12)18/h3-6,19H,1-2H3.
What are the key properties of 2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide?
2,5-dichloro-N-(2,4-difluorophenyl)-3,6-dimethylbenzenesulfonamide has a molecular weight of 366.22 g/mol, XLogP of 4.69, 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)-3,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 8500581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).