3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide

C19H14ClF2NO4S2 — CID 146545776

IUPAC3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C19H14ClF2NO4S2/c1-28(24,25)14-7-13(20)8-15(9-14)29(26,27)23-19-10-16(17(21)11-18(19)22)12-5-3-2-4-6-12/h2-11,23H,1H3
InChIKeyJUZGNUJXFAOROO-UHFFFAOYSA-N
MW457.91 g/mol
LogP4.49
Rot. Bonds5

About 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide

3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide (PubChem CID 146545776) has the molecular formula C19H14ClF2NO4S2 and a molecular weight of 457.91 g/mol. Its IUPAC name is 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide
PubChem CID146545776
Molecular FormulaC19H14ClF2NO4S2
Molecular Weight457.91 g/mol
Exact Mass457.00
IUPAC Name3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C19H14ClF2NO4S2/c1-28(24,25)14-7-13(20)8-15(9-14)29(26,27)23-19-10-16(17(21)11-18(19)22)12-5-3-2-4-6-12/h2-11,23H,1H3
InChIKeyJUZGNUJXFAOROO-UHFFFAOYSA-N
XLogP4.49
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-(4-phenylphenyl)benzenesulfonamide
CID 134146714
US9663460, Example 212
CID 67972542
US9663460, Example 213
CID 67972831
US9663460, Example 211
CID 67972937
3-chloro-4-fluoro-N-(m-tolyl)benzenesulfonamide
CID 890373
N-{2-[(3-aminobenzyl)thio]-5-chlorophenyl}-2,4-difluorobenzenesulfonamide
CID 57378104
N-(2,4-difluoro-5-phenylphenyl)-2-methylsulfonylbenzenesulfonamide
CID 146600945
5-(4-chlorophenyl)sulfonyl-2-methyl-N-phenylbenzenesulfonamide
CID 1089379
4'-chloro-N-(2-fluorophenyl)-[1,1'-biphenyl]-4-sulfonamide
CID 1309668
2-chloro-N-(2,3-dimethylphenyl)-5-methylsulfonylbenzenesulfonamide
CID 33800346
5-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-fluorobenzenesulfonamide
CID 146545714
3,5-dichloro-2-fluoro-N-(2-fluoro-5-phenylphenyl)benzenesulfonamide
CID 146545730

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide (CID 146545776) is 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1.
What is the InChIKey of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide?
The InChIKey is JUZGNUJXFAOROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO4S2/c1-28(24,25)14-7-13(20)8-15(9-14)29(26,27)23-19-10-16(17(21)11-18(19)22)12-5-3-2-4-6-12/h2-11,23H,1H3.
What are the key properties of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide?
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide has a molecular weight of 457.91 g/mol, XLogP of 4.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 146545776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).