3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide

C20H15ClN2O4S — CID 146545773

IUPAC3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C#N)cc(Cl)c1O
InChIInChI=1S/C20H15ClN2O4S/c1-27-18-8-7-15(14-5-3-2-4-6-14)11-17(18)23-28(25,26)19-10-13(12-22)9-16(21)20(19)24/h2-11,23-24H,1H3
InChIKeyCUSQKZVJPAFOIB-UHFFFAOYSA-N
MW414.87 g/mol
LogP4.39
Rot. Bonds5

About 3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide

3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide (PubChem CID 146545773) has the molecular formula C20H15ClN2O4S and a molecular weight of 414.87 g/mol. Its IUPAC name is 3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
PubChem CID146545773
Molecular FormulaC20H15ClN2O4S
Molecular Weight414.87 g/mol
Exact Mass414.04
IUPAC Name3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C#N)cc(Cl)c1O
InChIInChI=1S/C20H15ClN2O4S/c1-27-18-8-7-15(14-5-3-2-4-6-14)11-17(18)23-28(25,26)19-10-13(12-22)9-16(21)20(19)24/h2-11,23-24H,1H3
InChIKeyCUSQKZVJPAFOIB-UHFFFAOYSA-N
XLogP4.39
TPSA99.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide (CID 146545773) is 3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide is COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1cc(C#N)cc(Cl)c1O.
What is the InChIKey of 3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The InChIKey is CUSQKZVJPAFOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O4S/c1-27-18-8-7-15(14-5-3-2-4-6-14)11-17(18)23-28(25,26)19-10-13(12-22)9-16(21)20(19)24/h2-11,23-24H,1H3.
What are the key properties of 3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide has a molecular weight of 414.87 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyano-2-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 146545773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).