4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide

C17H19ClN2O4S — CID 1124175

IUPAC4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(O)c2)ccc1Cl
InChIInChI=1S/C17H19ClN2O4S/c1-3-20(4-2)25(23,24)16-10-12(8-9-15(16)18)17(22)19-13-6-5-7-14(21)11-13/h5-11,21H,3-4H2,1-2H3,(H,19,22)
InChIKeyBYOVSSZKVNOAOU-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.33
Rot. Bonds6

About 4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide

4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide (PubChem CID 1124175) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
PubChem CID1124175
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(O)c2)ccc1Cl
InChIInChI=1S/C17H19ClN2O4S/c1-3-20(4-2)25(23,24)16-10-12(8-9-15(16)18)17(22)19-13-6-5-7-14(21)11-13/h5-11,21H,3-4H2,1-2H3,(H,19,22)
InChIKeyBYOVSSZKVNOAOU-UHFFFAOYSA-N
XLogP3.33
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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N-(5-chloro-2-hydroxyphenyl)-3-[(dimethylamino)sulfonyl]benzamide
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2-chloro-N-(3-hydroxyphenyl)-5-(pyrrolidine-1-sulfonyl)benzamide
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3-(azepan-1-ylsulfonyl)-4-chloro-N-(2-hydroxyphenyl)benzamide
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N-(3-hydroxyphenyl)-4-[methyl(phenylsulfonyl)amino]benzamide
CID 1310433
2-chloro-N-(2-hydroxyphenyl)-5-(1-pyrrolidinylsulfonyl)benzamide
CID 1316792
4-{[(3-hydroxyphenyl)amino]sulfonyl}-N-phenylbenzamide
CID 2221592
4-[3-(Azepane-1-sulfonyl)-4-chlorobenzamido]benzoic acid
CID 1514712
4-(1-azepanylsulfonyl)-N-(3-hydroxyphenyl)benzamide
CID 992235
1-(4-chlorobenzoyl)-N-(3-hydroxyphenyl)piperidine-4-carboxamide
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CID 648227

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide?
The IUPAC name of 4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide (CID 1124175) is 4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide is CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(O)c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide?
The InChIKey is BYOVSSZKVNOAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-3-20(4-2)25(23,24)16-10-12(8-9-15(16)18)17(22)19-13-6-5-7-14(21)11-13/h5-11,21H,3-4H2,1-2H3,(H,19,22).
What are the key properties of 4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide?
4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide has a molecular weight of 382.87 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(diethylsulfamoyl)-N-(3-hydroxyphenyl)benzamide is sourced from PubChem (CID 1124175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).