4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide

C14H13ClN4O4S — CID 10619062

IUPAC4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)N=C(N)N)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C14H13ClN4O4S/c1-24(21,22)12-4-8(13(20)19-14(16)17)2-3-11(12)23-10-5-9(15)6-18-7-10/h2-7H,1H3,(H4,16,17,19,20)
InChIKeyUONGSWXVLUXGGW-UHFFFAOYSA-N
MW368.80 g/mol
LogP1.34
Rot. Bonds4

About 4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide

4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide (PubChem CID 10619062) has the molecular formula C14H13ClN4O4S and a molecular weight of 368.80 g/mol. Its IUPAC name is 4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide
PubChem CID10619062
Molecular FormulaC14H13ClN4O4S
Molecular Weight368.80 g/mol
Exact Mass368.03
IUPAC Name4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)N=C(N)N)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C14H13ClN4O4S/c1-24(21,22)12-4-8(13(20)19-14(16)17)2-3-11(12)23-10-5-9(15)6-18-7-10/h2-7H,1H3,(H4,16,17,19,20)
InChIKeyUONGSWXVLUXGGW-UHFFFAOYSA-N
XLogP1.34
TPSA137.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 51.34
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 4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide 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 4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide?
The IUPAC name of 4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide (CID 10619062) is 4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide?
The canonical SMILES for 4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide is CS(=O)(=O)c1cc(C(=O)N=C(N)N)ccc1Oc1cncc(Cl)c1.
What is the InChIKey of 4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide?
The InChIKey is UONGSWXVLUXGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O4S/c1-24(21,22)12-4-8(13(20)19-14(16)17)2-3-11(12)23-10-5-9(15)6-18-7-10/h2-7H,1H3,(H4,16,17,19,20).
What are the key properties of 4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide?
4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide has a molecular weight of 368.80 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-3-pyridinyl)oxy]-N-(diaminomethylidene)-3-methylsulfonylbenzamide is sourced from PubChem (CID 10619062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).