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

C19H11ClF5NO3S — CID 146545724

IUPAC3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)c(F)cc1F)c1cc(C(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C19H11ClF5NO3S/c20-13-6-11(19(23,24)25)7-17(18(13)27)30(28,29)26-16-8-12(14(21)9-15(16)22)10-4-2-1-3-5-10/h1-9,26-27H
InChIKeyALZFCPNSBBSWNA-UHFFFAOYSA-N
MW463.81 g/mol
LogP5.81
Rot. Bonds4

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

3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide (PubChem CID 146545724) has the molecular formula C19H11ClF5NO3S and a molecular weight of 463.81 g/mol. Its IUPAC name is 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide
PubChem CID146545724
Molecular FormulaC19H11ClF5NO3S
Molecular Weight463.81 g/mol
Exact Mass463.01
IUPAC Name3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(-c2ccccc2)c(F)cc1F)c1cc(C(F)(F)F)cc(Cl)c1O
InChIInChI=1S/C19H11ClF5NO3S/c20-13-6-11(19(23,24)25)7-17(18(13)27)30(28,29)26-16-8-12(14(21)9-15(16)22)10-4-2-1-3-5-10/h1-9,26-27H
InChIKeyALZFCPNSBBSWNA-UHFFFAOYSA-N
XLogP5.81
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.81
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545747
3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxy-N-methylbenzamide
CID 146545980
ethyl 3-chloro-5-[(2,4-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoate
CID 146545997
2-[(3,5-dichloro-2-hydroxyphenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
CID 146545806
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-5-methylsulfonylbenzenesulfonamide
CID 146545776
3-chloro-5-[(2,3-difluoro-5-phenylphenyl)sulfamoyl]-4-hydroxybenzoic acid
CID 146545712
2-hydroxy-4-[[2-hydroxy-3-phenyl-5-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 175169240
2-chloro-N-(5-chloro-2-fluorophenyl)-5-(trifluoromethyl)benzenesulfonamide
CID 51557780
2-chloro-N-[2-chloro-4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 139601759
2-[(3,5-dichlorophenyl)sulfonylamino]-5-fluoro-4-phenylbenzoic acid
CID 146545847
5-(azetidine-1-carbonyl)-N-(2,4-difluoro-5-phenylphenyl)-2-methoxybenzenesulfonamide
CID 146545954
5-chloro-3-cyano-N-(2-fluoro-5-phenylphenyl)-2-hydroxybenzenesulfonamide
CID 146545879

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide (CID 146545724) is 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc(-c2ccccc2)c(F)cc1F)c1cc(C(F)(F)F)cc(Cl)c1O.
What is the InChIKey of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ALZFCPNSBBSWNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF5NO3S/c20-13-6-11(19(23,24)25)7-17(18(13)27)30(28,29)26-16-8-12(14(21)9-15(16)22)10-4-2-1-3-5-10/h1-9,26-27H.
What are the key properties of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide?
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-(trifluoromethyl)benzenesulfonamide has a molecular weight of 463.81 g/mol, XLogP of 5.81, 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-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 146545724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).