N-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide

C14H14N4O4S — CID 10782924

IUPACN-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide
SMILESCS(=O)(=O)c1cc(C(=O)N=C(N)N)ccc1-n1ccc(=O)cc1
InChIInChI=1S/C14H14N4O4S/c1-23(21,22)12-8-9(13(20)17-14(15)16)2-3-11(12)18-6-4-10(19)5-7-18/h2-8H,1H3,(H4,15,16,17,20)
InChIKeyLAZXYGJDJSWOIV-UHFFFAOYSA-N
MW334.36 g/mol
LogP-0.35
Rot. Bonds3

About N-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide

N-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide (PubChem CID 10782924) has the molecular formula C14H14N4O4S and a molecular weight of 334.36 g/mol. Its IUPAC name is N-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide
PubChem CID10782924
Molecular FormulaC14H14N4O4S
Molecular Weight334.36 g/mol
Exact Mass334.07
IUPAC NameN-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide
SMILESCS(=O)(=O)c1cc(C(=O)N=C(N)N)ccc1-n1ccc(=O)cc1
InChIInChI=1S/C14H14N4O4S/c1-23(21,22)12-8-9(13(20)17-14(15)16)2-3-11(12)18-6-4-10(19)5-7-18/h2-8H,1H3,(H4,15,16,17,20)
InChIKeyLAZXYGJDJSWOIV-UHFFFAOYSA-N
XLogP-0.35
TPSA137.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.36
LogP ≤ 5-0.35
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'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide?
The IUPAC name of N-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide (CID 10782924) is N-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide.
What is the SMILES notation for N-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide?
The canonical SMILES for N-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide is CS(=O)(=O)c1cc(C(=O)N=C(N)N)ccc1-n1ccc(=O)cc1.
What is the InChIKey of N-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide?
The InChIKey is LAZXYGJDJSWOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4S/c1-23(21,22)12-8-9(13(20)17-14(15)16)2-3-11(12)18-6-4-10(19)5-7-18/h2-8H,1H3,(H4,15,16,17,20).
What are the key properties of N-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide?
N-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide has a molecular weight of 334.36 g/mol, XLogP of -0.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-3-methylsulfonyl-4-(4-oxo-1-pyridinyl)benzamide is sourced from PubChem (CID 10782924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).