3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide

C15H16N4O3S — CID 9359955

IUPAC3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N/N=C\c2ccncc2)c1
InChIInChI=1S/C15H16N4O3S/c1-19(2)23(21,22)14-5-3-4-13(10-14)15(20)18-17-11-12-6-8-16-9-7-12/h3-11H,1-2H3,(H,18,20)/b17-11-
InChIKeyPDVDNOBIYMJLOR-BOPFTXTBSA-N
MW332.39 g/mol
LogP1.10
Rot. Bonds5

About 3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide

3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide (PubChem CID 9359955) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is 3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide.

Molecular Properties

Compound Name3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
PubChem CID9359955
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC Name3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide
SMILESCN(C)S(=O)(=O)c1cccc(C(=O)N/N=C\c2ccncc2)c1
InChIInChI=1S/C15H16N4O3S/c1-19(2)23(21,22)14-5-3-4-13(10-14)15(20)18-17-11-12-6-8-16-9-7-12/h3-11H,1-2H3,(H,18,20)/b17-11-
InChIKeyPDVDNOBIYMJLOR-BOPFTXTBSA-N
XLogP1.10
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.10
H-Bond Donors ≤ 51
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

N-[(Z)-(4-bromophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359889
methyl 4-[(Z)-[[3-(dimethylsulfamoyl)benzoyl]hydrazinylidene]methyl]benzoate
CID 9360011
3-(dimethylsulfamoyl)-N-[(Z)-naphthalen-2-ylmethylideneamino]benzamide
CID 9359854
3-[(4-chlorophenyl)sulfamoyl]-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6904494
3-hydroxy-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6911445
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359899
3-bromo-N-[(E)-pyridin-4-ylmethylideneamino]benzamide
CID 6870510
N-[(Z)-[2-(difluoromethoxy)phenyl]methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359895
3-(dimethylamino)-N-[4-[[(E)-pyridin-4-ylmethylideneamino]carbamoyl]phenyl]benzamide
CID 90642883
N-[[4-[(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
CID 1101714
3-(dimethylsulfamoyl)-N-[(Z)-(3-methylcyclopent-2-en-1-ylidene)amino]benzamide
CID 9359935
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide?
The IUPAC name of 3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide (CID 9359955) is 3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide.
What is the SMILES notation for 3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide?
The canonical SMILES for 3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is CN(C)S(=O)(=O)c1cccc(C(=O)N/N=C\c2ccncc2)c1.
What is the InChIKey of 3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide?
The InChIKey is PDVDNOBIYMJLOR-BOPFTXTBSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-19(2)23(21,22)14-5-3-4-13(10-14)15(20)18-17-11-12-6-8-16-9-7-12/h3-11H,1-2H3,(H,18,20)/b17-11-.
What are the key properties of 3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide?
3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide has a molecular weight of 332.39 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylsulfamoyl)-N-[(Z)-pyridin-4-ylmethylideneamino]benzamide is sourced from PubChem (CID 9359955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).