2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide

C19H16ClN3O3S — CID 1087765

IUPAC2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1)c1ccccc1Cl
InChIInChI=1S/C19H16ClN3O3S/c20-18-6-2-1-5-17(18)19(24)23-15-7-9-16(10-8-15)27(25,26)22-13-14-4-3-11-21-12-14/h1-12,22H,13H2,(H,23,24)
InChIKeySGYFCHZPCQWDEF-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.47
Rot. Bonds6

About 2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide

2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide (PubChem CID 1087765) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide
PubChem CID1087765
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1)c1ccccc1Cl
InChIInChI=1S/C19H16ClN3O3S/c20-18-6-2-1-5-17(18)19(24)23-15-7-9-16(10-8-15)27(25,26)22-13-14-4-3-11-21-12-14/h1-12,22H,13H2,(H,23,24)
InChIKeySGYFCHZPCQWDEF-UHFFFAOYSA-N
XLogP3.47
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.88
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 1124627
2-Chloro-N-pyridin-3-yl-5-(pyrrolidine-1-sulfonyl)-benzamide
CID 1316771
6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide?
The IUPAC name of 2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide (CID 1087765) is 2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)NCc2cccnc2)cc1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide?
The InChIKey is SGYFCHZPCQWDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-18-6-2-1-5-17(18)19(24)23-15-7-9-16(10-8-15)27(25,26)22-13-14-4-3-11-21-12-14/h1-12,22H,13H2,(H,23,24).
What are the key properties of 2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide?
2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide has a molecular weight of 401.88 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(pyridin-3-ylmethylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1087765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).