4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide

C20H19NO4S — CID 73352530

IUPAC4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1cccc(N(C)S(=O)(=O)c2ccc(-c3cccc(O)c3)cc2)c1
InChIInChI=1S/C20H19NO4S/c1-21(17-6-4-8-19(14-17)25-2)26(23,24)20-11-9-15(10-12-20)16-5-3-7-18(22)13-16/h3-14,22H,1-2H3
InChIKeyKQJBQVYEJBYXHB-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.89
Rot. Bonds5

About 4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide

4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide (PubChem CID 73352530) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
PubChem CID73352530
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide
SMILESCOc1cccc(N(C)S(=O)(=O)c2ccc(-c3cccc(O)c3)cc2)c1
InChIInChI=1S/C20H19NO4S/c1-21(17-6-4-8-19(14-17)25-2)26(23,24)20-11-9-15(10-12-20)16-5-3-7-18(22)13-16/h3-14,22H,1-2H3
InChIKeyKQJBQVYEJBYXHB-UHFFFAOYSA-N
XLogP3.89
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide?
The IUPAC name of 4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide (CID 73352530) is 4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide is COc1cccc(N(C)S(=O)(=O)c2ccc(-c3cccc(O)c3)cc2)c1.
What is the InChIKey of 4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide?
The InChIKey is KQJBQVYEJBYXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-21(17-6-4-8-19(14-17)25-2)26(23,24)20-11-9-15(10-12-20)16-5-3-7-18(22)13-16/h3-14,22H,1-2H3.
What are the key properties of 4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide?
4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide has a molecular weight of 369.44 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-N-(3-methoxyphenyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 73352530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).