N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide

C21H18ClN5O4S — CID 53007195

IUPACN-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C21H18ClN5O4S/c1-12-4-5-15(10-18(12)32(29,30)26-19-8-6-16(22)11-23-19)17-7-9-20(28)27(24-17)21-13(2)25-31-14(21)3/h4-11H,1-3H3,(H,23,26)
InChIKeyNAXZFIPRXZZYMV-UHFFFAOYSA-N
MW471.93 g/mol
LogP3.66
Rot. Bonds5

About N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide

N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide (PubChem CID 53007195) has the molecular formula C21H18ClN5O4S and a molecular weight of 471.93 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide
PubChem CID53007195
Molecular FormulaC21H18ClN5O4S
Molecular Weight471.93 g/mol
Exact Mass471.08
IUPAC NameN-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide
SMILESCc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C21H18ClN5O4S/c1-12-4-5-15(10-18(12)32(29,30)26-19-8-6-16(22)11-23-19)17-7-9-20(28)27(24-17)21-13(2)25-31-14(21)3/h4-11H,1-3H3,(H,23,26)
InChIKeyNAXZFIPRXZZYMV-UHFFFAOYSA-N
XLogP3.66
TPSA119.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.93
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide 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-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide (CID 53007195) is N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide is Cc1ccc(-c2ccc(=O)n(-c3c(C)noc3C)n2)cc1S(=O)(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide?
The InChIKey is NAXZFIPRXZZYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O4S/c1-12-4-5-15(10-18(12)32(29,30)26-19-8-6-16(22)11-23-19)17-7-9-20(28)27(24-17)21-13(2)25-31-14(21)3/h4-11H,1-3H3,(H,23,26).
What are the key properties of N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide?
N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide has a molecular weight of 471.93 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-5-[1-(3,5-dimethyl-1,2-oxazol-4-yl)-6-oxopyridazin-3-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 53007195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).