3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide

C19H15ClN4O3S — CID 6893292

IUPAC3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccn1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H15ClN4O3S/c20-17-9-1-2-10-18(17)24-28(26,27)16-8-5-6-14(12-16)19(25)23-22-13-15-7-3-4-11-21-15/h1-13,24H,(H,23,25)/b22-13+
InChIKeyYZFJDSWCMPWWSG-LPYMAVHISA-N
MW414.87 g/mol
LogP3.30
Rot. Bonds6

About 3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide

3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide (PubChem CID 6893292) has the molecular formula C19H15ClN4O3S and a molecular weight of 414.87 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
PubChem CID6893292
Molecular FormulaC19H15ClN4O3S
Molecular Weight414.87 g/mol
Exact Mass414.06
IUPAC Name3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
SMILESO=C(N/N=C/c1ccccn1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1
InChIInChI=1S/C19H15ClN4O3S/c20-17-9-1-2-10-18(17)24-28(26,27)16-8-5-6-14(12-16)19(25)23-22-13-15-7-3-4-11-21-15/h1-13,24H,(H,23,25)/b22-13+
InChIKeyYZFJDSWCMPWWSG-LPYMAVHISA-N
XLogP3.30
TPSA100.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-methoxyphenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide
CID 6904564
N-(1,3-benzodioxol-5-ylmethylideneamino)-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 2325258
3-[(2-chlorophenyl)sulfamoyl]-N-[(2-hydroxy-3-methoxyphenyl)methylideneamino]benzamide
CID 2327297
N-[[(E)-2-bromo-3-phenylprop-2-enylidene]amino]-3-[(2-chlorophenyl)sulfamoyl]benzamide
CID 2354789
3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]benzamide
CID 18271805
3-[(2-chlorophenyl)sulfamoyl]-N-[[4-(diethylamino)phenyl]methylideneamino]benzamide
CID 2325539
3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750
2-chloro-N-[(E)-pyridin-2-ylmethylideneamino]benzamide;dihydrate
CID 139147248
N-[(Z)-pyridin-2-ylmethylideneamino]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 9465847
3-[(2-chlorophenyl)sulfamoyl]-N-(4-methylphenyl)benzamide
CID 2687813
3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methylideneamino]benzamide
CID 6900956
3-[(2,5-dichlorophenyl)sulfamoyl]-N-[(2,3,4-trihydroxyphenyl)methylideneamino]benzamide
CID 2391068

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The IUPAC name of 3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide (CID 6893292) is 3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The canonical SMILES for 3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide is O=C(N/N=C/c1ccccn1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1.
What is the InChIKey of 3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
The InChIKey is YZFJDSWCMPWWSG-LPYMAVHISA-N. The full InChI is InChI=1S/C19H15ClN4O3S/c20-17-9-1-2-10-18(17)24-28(26,27)16-8-5-6-14(12-16)19(25)23-22-13-15-7-3-4-11-21-15/h1-13,24H,(H,23,25)/b22-13+.
What are the key properties of 3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide?
3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide has a molecular weight of 414.87 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-2-ylmethylideneamino]benzamide is sourced from PubChem (CID 6893292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).