5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide

C14H12ClN3O3S3 — CID 41247027

IUPAC5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2cccs2)nn1)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClN3O3S3/c15-12-4-6-14(23-12)24(19,20)16-7-8-21-13-5-3-10(17-18-13)11-2-1-9-22-11/h1-6,9,16H,7-8H2
InChIKeyDPHSKHYYTZUOJN-UHFFFAOYSA-N
MW401.92 g/mol
LogP3.28
Rot. Bonds7

About 5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide (PubChem CID 41247027) has the molecular formula C14H12ClN3O3S3 and a molecular weight of 401.92 g/mol. Its IUPAC name is 5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide
PubChem CID41247027
Molecular FormulaC14H12ClN3O3S3
Molecular Weight401.92 g/mol
Exact Mass400.97
IUPAC Name5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCOc1ccc(-c2cccs2)nn1)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClN3O3S3/c15-12-4-6-14(23-12)24(19,20)16-7-8-21-13-5-3-10(17-18-13)11-2-1-9-22-11/h1-6,9,16H,7-8H2
InChIKeyDPHSKHYYTZUOJN-UHFFFAOYSA-N
XLogP3.28
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
CID 41246917
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]pyridine-3-sulfonamide
CID 41247021
3-fluoro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41246988
4-nitro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41247009
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 41247052
N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 41247032
5-fluoro-2-methoxy-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]benzenesulfonamide
CID 41246978
5-chloro-N-[2-(2-chlorophenoxy)ethyl]thiophene-2-sulfonamide
CID 4916594
5-chloro-N-[2-(1-methyl-4-thiophen-2-ylimidazol-2-yl)ethyl]thiophene-2-sulfonamide
CID 71797224
5-ethyl-N-[2-[6-(furan-2-yl)pyridazin-3-yl]oxyethyl]thiophene-2-sulfonamide
CID 18588400
5-chloro-N-(2-naphthalen-1-yloxyethyl)thiophene-2-sulfonamide
CID 60542376
5-chloro-N-[2-(2,3-dimethoxyphenoxy)ethyl]thiophene-2-sulfonamide
CID 113101998

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide (CID 41247027) is 5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide is O=S(=O)(NCCOc1ccc(-c2cccs2)nn1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide?
The InChIKey is DPHSKHYYTZUOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S3/c15-12-4-6-14(23-12)24(19,20)16-7-8-21-13-5-3-10(17-18-13)11-2-1-9-22-11/h1-6,9,16H,7-8H2.
What are the key properties of 5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide has a molecular weight of 401.92 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(6-thiophen-2-ylpyridazin-3-yl)oxyethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 41247027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).