2-chloro-N-phenyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide

C19H16ClN3O3S — CID 6459113

IUPAC2-chloro-N-phenyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1ccccc1)c1cc(S(=O)(=O)NCc2ccncc2)ccc1Cl
InChIInChI=1S/C19H16ClN3O3S/c20-18-7-6-16(27(25,26)22-13-14-8-10-21-11-9-14)12-17(18)19(24)23-15-4-2-1-3-5-15/h1-12,22H,13H2,(H,23,24)
InChIKeyXQBICTDEPPNQSX-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.47
Rot. Bonds6

About 2-chloro-N-phenyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide

2-chloro-N-phenyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide (PubChem CID 6459113) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 2-chloro-N-phenyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-phenyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide
PubChem CID6459113
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name2-chloro-N-phenyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide
SMILESO=C(Nc1ccccc1)c1cc(S(=O)(=O)NCc2ccncc2)ccc1Cl
InChIInChI=1S/C19H16ClN3O3S/c20-18-7-6-16(27(25,26)22-13-14-8-10-21-11-9-14)12-17(18)19(24)23-15-4-2-1-3-5-15/h1-12,22H,13H2,(H,23,24)
InChIKeyXQBICTDEPPNQSX-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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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-phenyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-phenyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide (CID 6459113) is 2-chloro-N-phenyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-phenyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-phenyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide is O=C(Nc1ccccc1)c1cc(S(=O)(=O)NCc2ccncc2)ccc1Cl.
What is the InChIKey of 2-chloro-N-phenyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide?
The InChIKey is XQBICTDEPPNQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-18-7-6-16(27(25,26)22-13-14-8-10-21-11-9-14)12-17(18)19(24)23-15-4-2-1-3-5-15/h1-12,22H,13H2,(H,23,24).
What are the key properties of 2-chloro-N-phenyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide?
2-chloro-N-phenyl-5-(pyridin-4-ylmethylsulfamoyl)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-phenyl-5-(pyridin-4-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 6459113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).