3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide

C19H16ClN3O3S — CID 60589876

IUPAC3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H16ClN3O3S/c20-16-10-9-15(19(24)23-18-8-4-5-11-21-18)12-17(16)27(25,26)22-13-14-6-2-1-3-7-14/h1-12,22H,13H2,(H,21,23,24)
InChIKeyIFVHJNKZBJGMKL-UHFFFAOYSA-N
MW401.88 g/mol
LogP3.47
Rot. Bonds6

About 3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide

3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide (PubChem CID 60589876) has the molecular formula C19H16ClN3O3S and a molecular weight of 401.88 g/mol. Its IUPAC name is 3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide
PubChem CID60589876
Molecular FormulaC19H16ClN3O3S
Molecular Weight401.88 g/mol
Exact Mass401.06
IUPAC Name3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide
SMILESO=C(Nc1ccccn1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C19H16ClN3O3S/c20-16-10-9-15(19(24)23-18-8-4-5-11-21-18)12-17(16)27(25,26)22-13-14-6-2-1-3-7-14/h1-12,22H,13H2,(H,21,23,24)
InChIKeyIFVHJNKZBJGMKL-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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3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
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4-chloro-3-[2-(pyridin-2-ylamino)ethylsulfamoyl]benzoic acid
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3-(benzylsulfamoyl)-4-chloro-N-(3-phenylprop-2-ynyl)benzamide
CID 24615553
4-chloro-3-(pyridin-3-ylmethylsulfamoyl)benzoic acid
CID 2411456
3-(benzylsulfamoyl)-4-chloro-N-(4-fluoro-3-nitrophenyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide?
The IUPAC name of 3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide (CID 60589876) is 3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide?
The canonical SMILES for 3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide is O=C(Nc1ccccn1)c1ccc(Cl)c(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide?
The InChIKey is IFVHJNKZBJGMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3S/c20-16-10-9-15(19(24)23-18-8-4-5-11-21-18)12-17(16)27(25,26)22-13-14-6-2-1-3-7-14/h1-12,22H,13H2,(H,21,23,24).
What are the key properties of 3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide?
3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide 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 3-(benzylsulfamoyl)-4-chloro-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 60589876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).