N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide

C16H15N3O3S2 — CID 16820339

IUPACN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C16H15N3O3S2/c20-15-9-8-14(13-5-2-1-3-6-13)18-19(15)11-10-17-24(21,22)16-7-4-12-23-16/h1-9,12,17H,10-11H2
InChIKeyVXYSZXMMYUGNRX-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide

N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 16820339) has the molecular formula C16H15N3O3S2 and a molecular weight of 361.45 g/mol. Its IUPAC name is N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID16820339
Molecular FormulaC16H15N3O3S2
Molecular Weight361.45 g/mol
Exact Mass361.06
IUPAC NameN-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1cccs1
InChIInChI=1S/C16H15N3O3S2/c20-15-9-8-14(13-5-2-1-3-6-13)18-19(15)11-10-17-24(21,22)16-7-4-12-23-16/h1-9,12,17H,10-11H2
InChIKeyVXYSZXMMYUGNRX-UHFFFAOYSA-N
XLogP1.95
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 16820339) is N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide is O=c1ccc(-c2ccccc2)nn1CCNS(=O)(=O)c1cccs1.
What is the InChIKey of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is VXYSZXMMYUGNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3S2/c20-15-9-8-14(13-5-2-1-3-6-13)18-19(15)11-10-17-24(21,22)16-7-4-12-23-16/h1-9,12,17H,10-11H2.
What are the key properties of N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 361.45 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16820339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).