3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide

C19H17NO4S — CID 73354019

IUPAC3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1cccc(-c2cccc(O)c2)c1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C19H17NO4S/c1-20(25(23,24)19-10-4-9-18(22)13-19)16-7-2-5-14(11-16)15-6-3-8-17(21)12-15/h2-13,21-22H,1H3
InChIKeyCJDUVKSVPAJUGB-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.59
Rot. Bonds4

About 3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide

3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide (PubChem CID 73354019) has the molecular formula C19H17NO4S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide
PubChem CID73354019
Molecular FormulaC19H17NO4S
Molecular Weight355.42 g/mol
Exact Mass355.09
IUPAC Name3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide
SMILESCN(c1cccc(-c2cccc(O)c2)c1)S(=O)(=O)c1cccc(O)c1
InChIInChI=1S/C19H17NO4S/c1-20(25(23,24)19-10-4-9-18(22)13-19)16-7-2-5-14(11-16)15-6-3-8-17(21)12-15/h2-13,21-22H,1H3
InChIKeyCJDUVKSVPAJUGB-UHFFFAOYSA-N
XLogP3.59
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-4-hydroxy-N-phenylbenzenesulfonamide
CID 44407802
N-biphenyl-2-yl-4-hydroxy-3-methyl-N-propyl-benzenesulfonamide
CID 44407826
N-[3-[(3-hydroxyphenyl)methylamino]propyl]-4-methyl-N-phenylbenzenesulfonamide
CID 44532007
4-(3-hydroxyphenyl)-N-[(3-hydroxyphenyl)methyl]-N-methylbenzenesulfonamide
CID 73346458
4-fluoro-3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide
CID 73347958
3-hydroxy-N-[4-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide
CID 73347959
N,3-bis(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 73357097
N,4-bis(3-hydroxyphenyl)-N-methylbenzenesulfonamide
CID 73346456
3-methoxy-N-[4-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide
CID 73357096
N-(3-hydroxyphenyl)-N-methyl-4-(3-methylphenyl)benzenesulfonamide
CID 73349502
3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide
CID 73351056
4-fluoro-3-methoxy-N-[3-(3-methoxyphenyl)phenyl]-N-methylbenzenesulfonamide
CID 73351057

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide (CID 73354019) is 3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide is CN(c1cccc(-c2cccc(O)c2)c1)S(=O)(=O)c1cccc(O)c1.
What is the InChIKey of 3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide?
The InChIKey is CJDUVKSVPAJUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO4S/c1-20(25(23,24)19-10-4-9-18(22)13-19)16-7-2-5-14(11-16)15-6-3-8-17(21)12-15/h2-13,21-22H,1H3.
What are the key properties of 3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide?
3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide has a molecular weight of 355.42 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[3-(3-hydroxyphenyl)phenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 73354019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).