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

C21H20N2O5S — CID 18928950

IUPAC3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide
SMILESO=C(NCC(O)c1cccc(O)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H20N2O5S/c24-18-9-5-6-15(13-18)20(25)14-22-21(26)16-7-4-8-17(12-16)23-29(27,28)19-10-2-1-3-11-19/h1-13,20,23-25H,14H2,(H,22,26)
InChIKeyBJWHUAWMCOYGMV-UHFFFAOYSA-N
MW412.47 g/mol
LogP2.66
Rot. Bonds7

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

3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide (PubChem CID 18928950) has the molecular formula C21H20N2O5S and a molecular weight of 412.47 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide
PubChem CID18928950
Molecular FormulaC21H20N2O5S
Molecular Weight412.47 g/mol
Exact Mass412.11
IUPAC Name3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide
SMILESO=C(NCC(O)c1cccc(O)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C21H20N2O5S/c24-18-9-5-6-15(13-18)20(25)14-22-21(26)16-7-4-8-17(12-16)23-29(27,28)19-10-2-1-3-11-19/h1-13,20,23-25H,14H2,(H,22,26)
InChIKeyBJWHUAWMCOYGMV-UHFFFAOYSA-N
XLogP2.66
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-(benzenesulfonamido)-N-[2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]benzamide
CID 18928962
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CID 24650130
N-[3-(1-hydroxypropyl)phenyl]benzenesulfonamide
CID 174636480
3-(benzenesulfonamido)-N-[2-(ethylamino)-2-oxoethyl]benzamide
CID 18137070
3-(benzenesulfonamido)-N-[2-(dimethylamino)-2-oxoethyl]benzamide
CID 9305703
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]carbamic acid
CID 70112963
3-(benzenesulfonamido)-N-(2-hydroxyphenyl)benzamide
CID 35979337
3-[(4-fluorophenyl)sulfamoyl]-N-[(2S)-2-phenylpropyl]benzamide
CID 9302470
N-[(2S)-2-hydroxy-2-phenylethyl]benzamide
CID 6542363
3-[(4-acetamidophenyl)sulfonylamino]-N-benzylbenzamide
CID 17377321
3-[(4-ethoxyphenyl)sulfonylamino]-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 25472628
N-[(2R)-2-hydroxy-2-phenylethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 1256857

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide (CID 18928950) is 3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide is O=C(NCC(O)c1cccc(O)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide?
The InChIKey is BJWHUAWMCOYGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S/c24-18-9-5-6-15(13-18)20(25)14-22-21(26)16-7-4-8-17(12-16)23-29(27,28)19-10-2-1-3-11-19/h1-13,20,23-25H,14H2,(H,22,26).
What are the key properties of 3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide?
3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide has a molecular weight of 412.47 g/mol, XLogP of 2.66, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]benzamide is sourced from PubChem (CID 18928950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).