N-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide

C17H17N3O3S2 — CID 53134976

IUPACN-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)cs1
InChIInChI=1S/C17H17N3O3S2/c1-3-20(14-7-5-4-6-8-14)25(22,23)17-11-13(12-24-17)15-9-10-16(21)19(2)18-15/h4-12H,3H2,1-2H3
InChIKeyATZPCWUKCGIESR-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.72
Rot. Bonds5

About N-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide

N-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide (PubChem CID 53134976) has the molecular formula C17H17N3O3S2 and a molecular weight of 375.48 g/mol. Its IUPAC name is N-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
PubChem CID53134976
Molecular FormulaC17H17N3O3S2
Molecular Weight375.48 g/mol
Exact Mass375.07
IUPAC NameN-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)cs1
InChIInChI=1S/C17H17N3O3S2/c1-3-20(14-7-5-4-6-8-14)25(22,23)17-11-13(12-24-17)15-9-10-16(21)19(2)18-15/h4-12H,3H2,1-2H3
InChIKeyATZPCWUKCGIESR-UHFFFAOYSA-N
XLogP2.72
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide?
The IUPAC name of N-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide (CID 53134976) is N-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide.
What is the SMILES notation for N-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide?
The canonical SMILES for N-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide is CCN(c1ccccc1)S(=O)(=O)c1cc(-c2ccc(=O)n(C)n2)cs1.
What is the InChIKey of N-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide?
The InChIKey is ATZPCWUKCGIESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S2/c1-3-20(14-7-5-4-6-8-14)25(22,23)17-11-13(12-24-17)15-9-10-16(21)19(2)18-15/h4-12H,3H2,1-2H3.
What are the key properties of N-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide?
N-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide has a molecular weight of 375.48 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1-methyl-6-oxopyridazin-3-yl)-N-phenylthiophene-2-sulfonamide is sourced from PubChem (CID 53134976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).