3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide

C19H16ClNO4S — CID 146545761

IUPAC3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C19H16ClNO4S/c1-25-19-10-7-14(13-5-3-2-4-6-13)11-17(19)21-26(23,24)15-8-9-18(22)16(20)12-15/h2-12,21-22H,1H3
InChIKeyGNUAUKPJOGVTPB-UHFFFAOYSA-N
MW389.86 g/mol
LogP4.52
Rot. Bonds5

About 3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide

3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide (PubChem CID 146545761) has the molecular formula C19H16ClNO4S and a molecular weight of 389.86 g/mol. Its IUPAC name is 3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
PubChem CID146545761
Molecular FormulaC19H16ClNO4S
Molecular Weight389.86 g/mol
Exact Mass389.05
IUPAC Name3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(O)c(Cl)c1
InChIInChI=1S/C19H16ClNO4S/c1-25-19-10-7-14(13-5-3-2-4-6-13)11-17(19)21-26(23,24)15-8-9-18(22)16(20)12-15/h2-12,21-22H,1H3
InChIKeyGNUAUKPJOGVTPB-UHFFFAOYSA-N
XLogP4.52
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The IUPAC name of 3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide (CID 146545761) is 3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The canonical SMILES for 3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide is COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1ccc(O)c(Cl)c1.
What is the InChIKey of 3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
The InChIKey is GNUAUKPJOGVTPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClNO4S/c1-25-19-10-7-14(13-5-3-2-4-6-13)11-17(19)21-26(23,24)15-8-9-18(22)16(20)12-15/h2-12,21-22H,1H3.
What are the key properties of 3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide?
3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide has a molecular weight of 389.86 g/mol, XLogP of 4.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-hydroxy-N-(2-methoxy-5-phenylphenyl)benzenesulfonamide is sourced from PubChem (CID 146545761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).