N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide

C17H17N3O3S2 — CID 7524020

IUPACN-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide
SMILESCCCOc1ccc(-c2cccc(NS(=O)(=O)c3cccs3)c2)nn1
InChIInChI=1S/C17H17N3O3S2/c1-2-10-23-16-9-8-15(18-19-16)13-5-3-6-14(12-13)20-25(21,22)17-7-4-11-24-17/h3-9,11-12,20H,2,10H2,1H3
InChIKeyVSFVMCRJYXLFJT-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.79
Rot. Bonds7

About N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide

N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 7524020) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide
PubChem CID7524020
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide
SMILESCCCOc1ccc(-c2cccc(NS(=O)(=O)c3cccs3)c2)nn1
InChIInChI=1S/C17H17N3O3S2/c1-2-10-23-16-9-8-15(18-19-16)13-5-3-6-14(12-13)20-25(21,22)17-7-4-11-24-17/h3-9,11-12,20H,2,10H2,1H3
InChIKeyVSFVMCRJYXLFJT-UHFFFAOYSA-N
XLogP3.79
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(6-methoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7553601
2,3-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349130
2,5-dichloro-N-[3-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 43985767
N-[4-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]thiophene-2-sulfonamide
CID 7524038
N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]thiophene-2-sulfonamide
CID 7520734
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-2,5-dimethoxybenzenesulfonamide
CID 7553670
2,3-dichloro-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 41349149
N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]-4-phenylbenzenesulfonamide
CID 43985818
4-methyl-N-[4-(6-propoxypyridazin-3-yl)phenyl]benzenesulfonamide
CID 8523124
N-[4-[3-(thiophen-2-ylsulfonylamino)phenyl]-1,3-thiazol-2-yl]acetamide
CID 155557473
2-chloro-N-[3-[6-(2-methylpropoxy)pyridazin-3-yl]phenyl]benzenesulfonamide
CID 43985825
N-[3-(6-ethoxypyridazin-3-yl)phenyl]-4-methyl-3,5-dinitrobenzenesulfonamide
CID 18575938

Frequently Asked Questions

What is the IUPAC name of N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide (CID 7524020) is N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide is CCCOc1ccc(-c2cccc(NS(=O)(=O)c3cccs3)c2)nn1.
What is the InChIKey of N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is VSFVMCRJYXLFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-2-10-23-16-9-8-15(18-19-16)13-5-3-6-14(12-13)20-25(21,22)17-7-4-11-24-17/h3-9,11-12,20H,2,10H2,1H3.
What are the key properties of N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide?
N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 375.48 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-propoxypyridazin-3-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 7524020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).