N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide

C15H16N4O4S — CID 10569723

IUPACN-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide
SMILESCc1cc(-n2ccc(=O)cc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N
InChIInChI=1S/C15H16N4O4S/c1-9-7-12(19-5-3-10(20)4-6-19)13(24(2,22)23)8-11(9)14(21)18-15(16)17/h3-8H,1-2H3,(H4,16,17,18,21)
InChIKeyLHTHFKJYWJKGHA-UHFFFAOYSA-N
MW348.38 g/mol
LogP-0.04
Rot. Bonds3

About N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide

N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide (PubChem CID 10569723) has the molecular formula C15H16N4O4S and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide
PubChem CID10569723
Molecular FormulaC15H16N4O4S
Molecular Weight348.38 g/mol
Exact Mass348.09
IUPAC NameN-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide
SMILESCc1cc(-n2ccc(=O)cc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N
InChIInChI=1S/C15H16N4O4S/c1-9-7-12(19-5-3-10(20)4-6-19)13(24(2,22)23)8-11(9)14(21)18-15(16)17/h3-8H,1-2H3,(H4,16,17,18,21)
InChIKeyLHTHFKJYWJKGHA-UHFFFAOYSA-N
XLogP-0.04
TPSA137.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide?
The IUPAC name of N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide (CID 10569723) is N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide is Cc1cc(-n2ccc(=O)cc2)c(S(C)(=O)=O)cc1C(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide?
The InChIKey is LHTHFKJYWJKGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4S/c1-9-7-12(19-5-3-10(20)4-6-19)13(24(2,22)23)8-11(9)14(21)18-15(16)17/h3-8H,1-2H3,(H4,16,17,18,21).
What are the key properties of N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide?
N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide has a molecular weight of 348.38 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 10569723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).