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

C19H14ClF2NO3S — CID 146545790

IUPAC3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C19H14ClF2NO3S/c1-11-7-14(20)19(24)18(8-11)27(25,26)23-17-9-13(15(21)10-16(17)22)12-5-3-2-4-6-12/h2-10,23-24H,1H3
InChIKeySJZNRNLJMIGMOU-UHFFFAOYSA-N
MW409.84 g/mol
LogP5.10
Rot. Bonds4

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

3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide (PubChem CID 146545790) has the molecular formula C19H14ClF2NO3S and a molecular weight of 409.84 g/mol. Its IUPAC name is 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide
PubChem CID146545790
Molecular FormulaC19H14ClF2NO3S
Molecular Weight409.84 g/mol
Exact Mass409.04
IUPAC Name3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide
SMILESCc1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C19H14ClF2NO3S/c1-11-7-14(20)19(24)18(8-11)27(25,26)23-17-9-13(15(21)10-16(17)22)12-5-3-2-4-6-12/h2-10,23-24H,1H3
InChIKeySJZNRNLJMIGMOU-UHFFFAOYSA-N
XLogP5.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.84
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(3,5-di-tert-butylphenyl)-2-hydroxybenzenesulfonamide
CID 44442231
3,5-dichloro-N-(4-hexylphenyl)-2-hydroxybenzenesulfonamide
CID 44442284
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide
CID 146545724
3,5-dichloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545747
3-chloro-5-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545779
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide
CID 146545787
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(hydroxymethyl)benzenesulfonamide
CID 146545869
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-propanoylbenzenesulfonamide
CID 146545873
5-bromo-3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545883
3-Chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid
CID 146545963
3-chloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545968
3,5-dichloro-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545977

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide (CID 146545790) is 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide is Cc1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1.
What is the InChIKey of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide?
The InChIKey is SJZNRNLJMIGMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO3S/c1-11-7-14(20)19(24)18(8-11)27(25,26)23-17-9-13(15(21)10-16(17)22)12-5-3-2-4-6-12/h2-10,23-24H,1H3.
What are the key properties of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide?
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide has a molecular weight of 409.84 g/mol, XLogP of 5.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylbenzenesulfonamide is sourced from PubChem (CID 146545790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).