4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide

C17H15ClN4O3S — CID 155559512

IUPAC4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ncc(NCc3ccccc3)c(Cl)c2=O)cc1
InChIInChI=1S/C17H15ClN4O3S/c18-16-15(20-10-12-4-2-1-3-5-12)11-21-22(17(16)23)13-6-8-14(9-7-13)26(19,24)25/h1-9,11,20H,10H2,(H2,19,24,25)
InChIKeyOUJUAIANBYBSLD-UHFFFAOYSA-N
MW390.85 g/mol
LogP2.15
Rot. Bonds5

About 4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide

4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide (PubChem CID 155559512) has the molecular formula C17H15ClN4O3S and a molecular weight of 390.85 g/mol. Its IUPAC name is 4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide
PubChem CID155559512
Molecular FormulaC17H15ClN4O3S
Molecular Weight390.85 g/mol
Exact Mass390.06
IUPAC Name4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2ncc(NCc3ccccc3)c(Cl)c2=O)cc1
InChIInChI=1S/C17H15ClN4O3S/c18-16-15(20-10-12-4-2-1-3-5-12)11-21-22(17(16)23)13-6-8-14(9-7-13)26(19,24)25/h1-9,11,20H,10H2,(H2,19,24,25)
InChIKeyOUJUAIANBYBSLD-UHFFFAOYSA-N
XLogP2.15
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.85
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide?
The IUPAC name of 4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide (CID 155559512) is 4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2ncc(NCc3ccccc3)c(Cl)c2=O)cc1.
What is the InChIKey of 4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide?
The InChIKey is OUJUAIANBYBSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O3S/c18-16-15(20-10-12-4-2-1-3-5-12)11-21-22(17(16)23)13-6-8-14(9-7-13)26(19,24)25/h1-9,11,20H,10H2,(H2,19,24,25).
What are the key properties of 4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide?
4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide has a molecular weight of 390.85 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(benzylamino)-5-chloro-6-oxopyridazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 155559512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).