4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide

C20H18N2O4S — CID 1310433

IUPAC4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide
SMILESCN(c1ccc(C(=O)Nc2cccc(O)c2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18N2O4S/c1-22(27(25,26)19-8-3-2-4-9-19)17-12-10-15(11-13-17)20(24)21-16-6-5-7-18(23)14-16/h2-14,23H,1H3,(H,21,24)
InChIKeyIGGFNTFJFVQLTL-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.47
Rot. Bonds5

About 4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide

4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide (PubChem CID 1310433) has the molecular formula C20H18N2O4S and a molecular weight of 382.44 g/mol. Its IUPAC name is 4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide
PubChem CID1310433
Molecular FormulaC20H18N2O4S
Molecular Weight382.44 g/mol
Exact Mass382.10
IUPAC Name4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide
SMILESCN(c1ccc(C(=O)Nc2cccc(O)c2)cc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H18N2O4S/c1-22(27(25,26)19-8-3-2-4-9-19)17-12-10-15(11-13-17)20(24)21-16-6-5-7-18(23)14-16/h2-14,23H,1H3,(H,21,24)
InChIKeyIGGFNTFJFVQLTL-UHFFFAOYSA-N
XLogP3.47
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide?
The IUPAC name of 4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide (CID 1310433) is 4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide?
The canonical SMILES for 4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide is CN(c1ccc(C(=O)Nc2cccc(O)c2)cc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide?
The InChIKey is IGGFNTFJFVQLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O4S/c1-22(27(25,26)19-8-3-2-4-9-19)17-12-10-15(11-13-17)20(24)21-16-6-5-7-18(23)14-16/h2-14,23H,1H3,(H,21,24).
What are the key properties of 4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide?
4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide has a molecular weight of 382.44 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzenesulfonyl(methyl)amino]-N-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 1310433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).