4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide

C20H19NO4S — CID 73346458

IUPAC4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1cccc(O)c1)S(=O)(=O)c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C20H19NO4S/c1-21(14-15-4-2-6-18(22)12-15)26(24,25)20-10-8-16(9-11-20)17-5-3-7-19(23)13-17/h2-13,22-23H,14H2,1H3
InChIKeyKIOHYPYDGDIUEP-UHFFFAOYSA-N
MW369.44 g/mol
LogP3.59
Rot. Bonds5

About 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide

4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide (PubChem CID 73346458) has the molecular formula C20H19NO4S and a molecular weight of 369.44 g/mol. Its IUPAC name is 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
PubChem CID73346458
Molecular FormulaC20H19NO4S
Molecular Weight369.44 g/mol
Exact Mass369.10
IUPAC Name4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1cccc(O)c1)S(=O)(=O)c1ccc(-c2cccc(O)c2)cc1
InChIInChI=1S/C20H19NO4S/c1-21(14-15-4-2-6-18(22)12-15)26(24,25)20-10-8-16(9-11-20)17-5-3-7-19(23)13-17/h2-13,22-23H,14H2,1H3
InChIKeyKIOHYPYDGDIUEP-UHFFFAOYSA-N
XLogP3.59
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide (CID 73346458) is 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide is CN(Cc1cccc(O)c1)S(=O)(=O)c1ccc(-c2cccc(O)c2)cc1.
What is the InChIKey of 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide?
The InChIKey is KIOHYPYDGDIUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4S/c1-21(14-15-4-2-6-18(22)12-15)26(24,25)20-10-8-16(9-11-20)17-5-3-7-19(23)13-17/h2-13,22-23H,14H2,1H3.
What are the key properties of 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide?
4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide has a molecular weight of 369.44 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 73346458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).