3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide

C20H17Cl2NO4S — CID 146545932

IUPAC3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1c(C)c(Cl)cc(Cl)c1O
InChIInChI=1S/C20H17Cl2NO4S/c1-12-15(21)11-16(22)19(24)20(12)28(25,26)23-17-10-14(8-9-18(17)27-2)13-6-4-3-5-7-13/h3-11,23-24H,1-2H3
InChIKeyKHQHMIHPUPPMEX-UHFFFAOYSA-N
MW438.33 g/mol
LogP5.48
Rot. Bonds5

About 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide

3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide (PubChem CID 146545932) has the molecular formula C20H17Cl2NO4S and a molecular weight of 438.33 g/mol. Its IUPAC name is 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide
PubChem CID146545932
Molecular FormulaC20H17Cl2NO4S
Molecular Weight438.33 g/mol
Exact Mass437.03
IUPAC Name3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide
SMILESCOc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1c(C)c(Cl)cc(Cl)c1O
InChIInChI=1S/C20H17Cl2NO4S/c1-12-15(21)11-16(22)19(24)20(12)28(25,26)23-17-10-14(8-9-18(17)27-2)13-6-4-3-5-7-13/h3-11,23-24H,1-2H3
InChIKeyKHQHMIHPUPPMEX-UHFFFAOYSA-N
XLogP5.48
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.33
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide?
The IUPAC name of 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide (CID 146545932) is 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide?
The canonical SMILES for 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide is COc1ccc(-c2ccccc2)cc1NS(=O)(=O)c1c(C)c(Cl)cc(Cl)c1O.
What is the InChIKey of 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide?
The InChIKey is KHQHMIHPUPPMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2NO4S/c1-12-15(21)11-16(22)19(24)20(12)28(25,26)23-17-10-14(8-9-18(17)27-2)13-6-4-3-5-7-13/h3-11,23-24H,1-2H3.
What are the key properties of 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide?
3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide has a molecular weight of 438.33 g/mol, XLogP of 5.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-hydroxy-N-(2-methoxy-5-phenylphenyl)-6-methylbenzenesulfonamide is sourced from PubChem (CID 146545932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).