3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide

C22H22N2O6S — CID 18928962

IUPAC3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cc(C(O)CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1O
InChIInChI=1S/C22H22N2O6S/c1-30-21-13-15(10-11-19(21)25)20(26)14-23-22(27)16-6-5-7-17(12-16)24-31(28,29)18-8-3-2-4-9-18/h2-13,20,24-26H,14H2,1H3,(H,23,27)
InChIKeyJPMCUWPZIOBDNE-UHFFFAOYSA-N
MW442.49 g/mol
LogP2.66
Rot. Bonds8

About 3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide

3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide (PubChem CID 18928962) has the molecular formula C22H22N2O6S and a molecular weight of 442.49 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide
PubChem CID18928962
Molecular FormulaC22H22N2O6S
Molecular Weight442.49 g/mol
Exact Mass442.12
IUPAC Name3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide
SMILESCOc1cc(C(O)CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1O
InChIInChI=1S/C22H22N2O6S/c1-30-21-13-15(10-11-19(21)25)20(26)14-23-22(27)16-6-5-7-17(12-16)24-31(28,29)18-8-3-2-4-9-18/h2-13,20,24-26H,14H2,1H3,(H,23,27)
InChIKeyJPMCUWPZIOBDNE-UHFFFAOYSA-N
XLogP2.66
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.49
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide
CID 18928950
3-(benzenesulfonamido)-N-[(2-methoxyphenyl)methyl]benzamide
CID 9164278
3-(benzenesulfonamido)-N-[1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 132611720
3-(benzenesulfonamido)-N-[2-(dimethylamino)-3-methylbutyl]benzamide
CID 24650130
N-[2-(3-chlorophenyl)-2-hydroxyethyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 51114512
N-benzyl-3-[(4-methoxyphenyl)sulfonylamino]benzamide
CID 7542047
3-[(2-chlorophenyl)sulfamoyl]-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]benzamide
CID 55655492
N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
CID 174636480
3-(benzenesulfonamido)-N-[3-(2-methoxyethoxy)propyl]benzamide
CID 55408119
2-[[3-(benzenesulfonamido)benzoyl]amino]-3-methylpentanoic acid
CID 119211489
3-(benzenesulfonamido)-N-(3-methoxyphenyl)benzamide
CID 7541945
3-(benzenesulfonamido)-N-[2-(dimethylamino)-2-oxoethyl]benzamide
CID 9305703

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide (CID 18928962) is 3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide is COc1cc(C(O)CNC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)ccc1O.
What is the InChIKey of 3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide?
The InChIKey is JPMCUWPZIOBDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O6S/c1-30-21-13-15(10-11-19(21)25)20(26)14-23-22(27)16-6-5-7-17(12-16)24-31(28,29)18-8-3-2-4-9-18/h2-13,20,24-26H,14H2,1H3,(H,23,27).
What are the key properties of 3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide?
3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide has a molecular weight of 442.49 g/mol, XLogP of 2.66, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 18928962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).