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

C18H14ClN3O3S — CID 1078169

IUPAC3-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClN3O3S/c19-14-5-3-4-13(12-14)18(23)21-15-7-9-16(10-8-15)26(24,25)22-17-6-1-2-11-20-17/h1-12H,(H,20,22)(H,21,23)
InChIKeyJXIDZJLOLBNHRB-UHFFFAOYSA-N
MW387.85 g/mol
LogP3.79
Rot. Bonds5

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

3-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide (PubChem CID 1078169) has the molecular formula C18H14ClN3O3S and a molecular weight of 387.85 g/mol. Its IUPAC name is 3-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
PubChem CID1078169
Molecular FormulaC18H14ClN3O3S
Molecular Weight387.85 g/mol
Exact Mass387.04
IUPAC Name3-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClN3O3S/c19-14-5-3-4-13(12-14)18(23)21-15-7-9-16(10-8-15)26(24,25)22-17-6-1-2-11-20-17/h1-12H,(H,20,22)(H,21,23)
InChIKeyJXIDZJLOLBNHRB-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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Related Compounds

N-(2-(((5-Chloro-2-pyridinyl)amino)sulfonyl)phenyl)-4-(2-oxo-1(2H)-pyridinyl)benzamide
CID 24794406
N-{4-[(5-chloropyridin-2-yl)sulfamoyl]phenyl}acetamide
CID 669666
4-[(3-Chloro-1,4-dioxo-1,4-dihydro-2-naphthalenyl)amino]-N-(2-pyridinyl)benzenesulfonamide
CID 239794
N-(5-Chloro-pyridin-2-yl)-3-(piperidine-1-sulfonyl)-benzamide
CID 1124159
N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide
CID 1084460
6-chloro-N-(4-piperidin-1-ylsulfonylphenyl)pyridine-3-carboxamide
CID 2121872
ST50631408
CID 3929829
3-[ethyl(phenyl)sulfamoyl]-N-(5-methylpyridin-2-yl)benzamide
CID 24816731
N-(5-chloropyridin-2-yl)-3-(diethylsulfamoyl)-4-methylbenzamide
CID 1039727
{4-[(dipropylamino)sulfonyl]phenyl}-N-(2-pyridyl)carboxamide
CID 17385730
(E)-3-(2-chlorophenyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1105815
3-(4-Chlorophenyl)-N-(4-((2-pyrimidinylamino)sulfonyl)phenyl)acrylamide
CID 1115931

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
The IUPAC name of 3-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide (CID 1078169) is 3-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide.
What is the SMILES notation for 3-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
The canonical SMILES for 3-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide is O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
The InChIKey is JXIDZJLOLBNHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O3S/c19-14-5-3-4-13(12-14)18(23)21-15-7-9-16(10-8-15)26(24,25)22-17-6-1-2-11-20-17/h1-12H,(H,20,22)(H,21,23).
What are the key properties of 3-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide?
3-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]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 3-chloro-N-[4-(pyridin-2-ylsulfamoyl)phenyl]benzamide is sourced from PubChem (CID 1078169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).