4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide

C15H17Cl2N3O3S — CID 46556556

IUPAC4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C15H17Cl2N3O3S/c1-3-10(4-2)19-24(22,23)12-7-5-11(6-8-12)20-15(21)14(17)13(16)9-18-20/h5-10,19H,3-4H2,1-2H3
InChIKeyHTMNJVFNHBDOFM-UHFFFAOYSA-N
MW390.29 g/mol
LogP3.01
Rot. Bonds6

About 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide

4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide (PubChem CID 46556556) has the molecular formula C15H17Cl2N3O3S and a molecular weight of 390.29 g/mol. Its IUPAC name is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide
PubChem CID46556556
Molecular FormulaC15H17Cl2N3O3S
Molecular Weight390.29 g/mol
Exact Mass389.04
IUPAC Name4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1
InChIInChI=1S/C15H17Cl2N3O3S/c1-3-10(4-2)19-24(22,23)12-7-5-11(6-8-12)20-15(21)14(17)13(16)9-18-20/h5-10,19H,3-4H2,1-2H3
InChIKeyHTMNJVFNHBDOFM-UHFFFAOYSA-N
XLogP3.01
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

methyl (2S)-2-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-3-methylbutanoate
CID 55938589
ethyl N-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]carbamate
CID 31689260
ethyl 4-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]butanoate
CID 43053510
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(3-ethoxyphenyl)benzenesulfonamide
CID 60534205
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 55559930
N-(4-chloro-2-fluorophenyl)-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
CID 24662160
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[4-(4-methylpiperazin-1-yl)butyl]benzenesulfonamide
CID 55681994
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
CID 60540247
2-[[4-(4,5-dichloro-6-oxopyridazin-1-yl)phenyl]sulfonylamino]-3-methylbenzoic acid
CID 43069586
N-[[(7R)-7-bicyclo[4.2.0]octa-1,3,5-trienyl]methyl]-4-(4,5-dichloro-6-oxopyridazin-1-yl)benzenesulfonamide
CID 99812285
4-(4,5-dichloro-6-oxopyridazin-1-yl)benzoyl chloride
CID 18983164
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-[3-(3-methylpiperidin-1-yl)propyl]benzenesulfonamide
CID 55895359

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide (CID 46556556) is 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide is CCC(CC)NS(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1.
What is the InChIKey of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is HTMNJVFNHBDOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O3S/c1-3-10(4-2)19-24(22,23)12-7-5-11(6-8-12)20-15(21)14(17)13(16)9-18-20/h5-10,19H,3-4H2,1-2H3.
What are the key properties of 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide?
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 390.29 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 46556556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).