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

C19H14ClF2NO5S2 — CID 146545787

IUPAC3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C19H14ClF2NO5S2/c1-29(25,26)12-7-14(20)19(24)18(8-12)30(27,28)23-17-9-13(15(21)10-16(17)22)11-5-3-2-4-6-11/h2-10,23-24H,1H3
InChIKeyZIZDORVIGLTKPS-UHFFFAOYSA-N
MW473.91 g/mol
LogP4.20
Rot. Bonds5

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

3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide (PubChem CID 146545787) has the molecular formula C19H14ClF2NO5S2 and a molecular weight of 473.91 g/mol. Its IUPAC name is 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide
PubChem CID146545787
Molecular FormulaC19H14ClF2NO5S2
Molecular Weight473.91 g/mol
Exact Mass473.00
IUPAC Name3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide
SMILESCS(=O)(=O)c1cc(Cl)c(O)c(S(=O)(=O)Nc2cc(-c3ccccc3)c(F)cc2F)c1
InChIInChI=1S/C19H14ClF2NO5S2/c1-29(25,26)12-7-14(20)19(24)18(8-12)30(27,28)23-17-9-13(15(21)10-16(17)22)11-5-3-2-4-6-11/h2-10,23-24H,1H3
InChIKeyZIZDORVIGLTKPS-UHFFFAOYSA-N
XLogP4.20
TPSA100.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.91
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide?
The IUPAC name of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide (CID 146545787) is 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide?
The canonical SMILES for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide is CS(=O)(=O)c1cc(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-methylsulfonylbenzenesulfonamide?
The InChIKey is ZIZDORVIGLTKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2NO5S2/c1-29(25,26)12-7-14(20)19(24)18(8-12)30(27,28)23-17-9-13(15(21)10-16(17)22)11-5-3-2-4-6-11/h2-10,23-24H,1H3.
What are the key properties of 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide?
3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide has a molecular weight of 473.91 g/mol, XLogP of 4.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,4-difluoro-5-phenylphenyl)-2-hydroxy-5-methylsulfonylbenzenesulfonamide is sourced from PubChem (CID 146545787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).