2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide

C14H15ClN4O3S — CID 155074154

IUPAC2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N=c2ccc(Cl)nn2C(C)C(N)=O)cc1
InChIInChI=1S/C14H15ClN4O3S/c1-9-3-5-11(6-4-9)23(21,22)18-13-8-7-12(15)17-19(13)10(2)14(16)20/h3-8,10H,1-2H3,(H2,16,20)
InChIKeyRZRMUBXEVFHKIZ-UHFFFAOYSA-N
MW354.82 g/mol
LogP1.18
Rot. Bonds4

About 2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide

2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide (PubChem CID 155074154) has the molecular formula C14H15ClN4O3S and a molecular weight of 354.82 g/mol. Its IUPAC name is 2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide.

Molecular Properties

Compound Name2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide
PubChem CID155074154
Molecular FormulaC14H15ClN4O3S
Molecular Weight354.82 g/mol
Exact Mass354.06
IUPAC Name2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide
SMILESCc1ccc(S(=O)(=O)N=c2ccc(Cl)nn2C(C)C(N)=O)cc1
InChIInChI=1S/C14H15ClN4O3S/c1-9-3-5-11(6-4-9)23(21,22)18-13-8-7-12(15)17-19(13)10(2)14(16)20/h3-8,10H,1-2H3,(H2,16,20)
InChIKeyRZRMUBXEVFHKIZ-UHFFFAOYSA-N
XLogP1.18
TPSA107.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.82
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide?
The IUPAC name of 2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide (CID 155074154) is 2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide.
What is the SMILES notation for 2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide?
The canonical SMILES for 2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide is Cc1ccc(S(=O)(=O)N=c2ccc(Cl)nn2C(C)C(N)=O)cc1.
What is the InChIKey of 2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide?
The InChIKey is RZRMUBXEVFHKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O3S/c1-9-3-5-11(6-4-9)23(21,22)18-13-8-7-12(15)17-19(13)10(2)14(16)20/h3-8,10H,1-2H3,(H2,16,20).
What are the key properties of 2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide?
2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide has a molecular weight of 354.82 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-6-(4-methylphenyl)sulfonyliminopyridazin-1-yl]propanamide is sourced from PubChem (CID 155074154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).