2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide

C18H14ClN3O3S — CID 1217158

IUPAC2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide
SMILESO=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl
InChIInChI=1S/C18H14ClN3O3S/c19-17-9-8-15(26(24,25)22-14-7-4-10-20-12-14)11-16(17)18(23)21-13-5-2-1-3-6-13/h1-12,22H,(H,21,23)
InChIKeyMKMUWAWIJSZBHH-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.79
Rot. Bonds5

About 2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide

2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide (PubChem CID 1217158) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is 2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide
PubChem CID1217158
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC Name2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide
SMILESO=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl
InChIInChI=1S/C18H14ClN3O3S/c19-17-9-8-15(26(24,25)22-14-7-4-10-20-12-14)11-16(17)18(23)21-13-5-2-1-3-6-13/h1-12,22H,(H,21,23)
InChIKeyMKMUWAWIJSZBHH-UHFFFAOYSA-N
XLogP3.79
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.85
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide (CID 1217158) is 2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide is O=C(Nc1ccccc1)c1cc(S(=O)(=O)Nc2cccnc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide?
The InChIKey is MKMUWAWIJSZBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c19-17-9-8-15(26(24,25)22-14-7-4-10-20-12-14)11-16(17)18(23)21-13-5-2-1-3-6-13/h1-12,22H,(H,21,23).
What are the key properties of 2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide?
2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide has a molecular weight of 387.85 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-phenyl-5-(pyridin-3-ylsulfamoyl)benzamide is sourced from PubChem (CID 1217158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).