5-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide

C14H12ClN3O3S3 — CID 16905801

IUPAC5-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClN3O3S3/c15-12-4-6-14(23-12)24(20,21)16-7-8-18-13(19)5-3-10(17-18)11-2-1-9-22-11/h1-6,9,16H,7-8H2
InChIKeyWCSHFWNUXJBBCW-UHFFFAOYSA-N
MW401.92 g/mol
LogP2.67
Rot. Bonds6

About 5-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide

5-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 16905801) has the molecular formula C14H12ClN3O3S3 and a molecular weight of 401.92 g/mol. Its IUPAC name is 5-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID16905801
Molecular FormulaC14H12ClN3O3S3
Molecular Weight401.92 g/mol
Exact Mass400.97
IUPAC Name5-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C14H12ClN3O3S3/c15-12-4-6-14(23-12)24(20,21)16-7-8-18-13(19)5-3-10(17-18)11-2-1-9-22-11/h1-6,9,16H,7-8H2
InChIKeyWCSHFWNUXJBBCW-UHFFFAOYSA-N
XLogP2.67
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.92
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 16905801) is 5-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide is O=c1ccc(-c2cccs2)nn1CCNS(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is WCSHFWNUXJBBCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3S3/c15-12-4-6-14(23-12)24(20,21)16-7-8-18-13(19)5-3-10(17-18)11-2-1-9-22-11/h1-6,9,16H,7-8H2.
What are the key properties of 5-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
5-chloro-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 401.92 g/mol, XLogP of 2.67, 6 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-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16905801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).