4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide

C17H17ClN2O5S — CID 1087709

IUPAC4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H17ClN2O5S/c18-13-6-5-12(17(22)19-14-3-1-2-4-15(14)21)11-16(13)26(23,24)20-7-9-25-10-8-20/h1-6,11,21H,7-10H2,(H,19,22)
InChIKeySRJSIJJKDJTSEA-UHFFFAOYSA-N
MW396.85 g/mol
LogP2.32
Rot. Bonds4

About 4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide

4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 1087709) has the molecular formula C17H17ClN2O5S and a molecular weight of 396.85 g/mol. Its IUPAC name is 4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID1087709
Molecular FormulaC17H17ClN2O5S
Molecular Weight396.85 g/mol
Exact Mass396.05
IUPAC Name4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1
InChIInChI=1S/C17H17ClN2O5S/c18-13-6-5-12(17(22)19-14-3-1-2-4-15(14)21)11-16(13)26(23,24)20-7-9-25-10-8-20/h1-6,11,21H,7-10H2,(H,19,22)
InChIKeySRJSIJJKDJTSEA-UHFFFAOYSA-N
XLogP2.32
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.85
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-[Benzyl(2-methoxyphenyl)sulfamoyl]-4-chlorobenzoic acid
CID 3854694
4-(diethylsulfamoyl)-N-(2-hydroxy-5-morpholin-4-ylsulfonylphenyl)benzamide
CID 3557212
2-chloro-N-(2-methoxyphenyl)-5-(4-morpholinylsulfonyl)benzamide
CID 1356335
N-(5-chloro-2-hydroxyphenyl)-3-[(dimethylamino)sulfonyl]benzamide
CID 1262342
2-Chloro-N-(2-hydroxy-phenyl)-5-(morpholine-4-sulfonyl)-benzamide
CID 649929
N-(2-Methoxy-phenyl)-3-(morpholine-4-sulfonyl)-benzamide
CID 1081943
N-(2-hydroxyphenyl)-3-(4-morpholinylsulfonyl)benzamide
CID 1087707
2,4-dichloro-N-(2-hydroxyphenyl)-5-morpholinosulfonyl-benzamide
CID 1087710
3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide
CID 1087788
2-chloro-N-(2-hydroxyphenyl)-5-(1-pyrrolidinylsulfonyl)benzamide
CID 1316792
2-chloro-5-[(2-methoxyphenyl)-prop-2-enylsulfamoyl]-N-(4-morpholin-4-ylphenyl)benzamide
CID 2395136
4-chloro-N-(2-methoxyphenyl)-3-(piperidin-1-ylsulfonyl)benzamide
CID 2704849

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 1087709) is 4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide is O=C(Nc1ccccc1O)c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1.
What is the InChIKey of 4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is SRJSIJJKDJTSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O5S/c18-13-6-5-12(17(22)19-14-3-1-2-4-15(14)21)11-16(13)26(23,24)20-7-9-25-10-8-20/h1-6,11,21H,7-10H2,(H,19,22).
What are the key properties of 4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide?
4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 396.85 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-hydroxyphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 1087709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).