N-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide

C13H14N4O4S2 — CID 167866231

IUPACN-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(N2CCOCC2)nn1)c1ccsc1
InChIInChI=1S/C13H14N4O4S2/c18-13(10-3-8-22-9-10)16-23(19,20)12-2-1-11(14-15-12)17-4-6-21-7-5-17/h1-3,8-9H,4-7H2,(H,16,18)
InChIKeyLDHYDYKXDISMBZ-UHFFFAOYSA-N
MW354.41 g/mol
LogP0.49
Rot. Bonds4

About N-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide

N-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide (PubChem CID 167866231) has the molecular formula C13H14N4O4S2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide.

Molecular Properties

Compound NameN-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide
PubChem CID167866231
Molecular FormulaC13H14N4O4S2
Molecular Weight354.41 g/mol
Exact Mass354.05
IUPAC NameN-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc(N2CCOCC2)nn1)c1ccsc1
InChIInChI=1S/C13H14N4O4S2/c18-13(10-3-8-22-9-10)16-23(19,20)12-2-1-11(14-15-12)17-4-6-21-7-5-17/h1-3,8-9H,4-7H2,(H,16,18)
InChIKeyLDHYDYKXDISMBZ-UHFFFAOYSA-N
XLogP0.49
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide?
The IUPAC name of N-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide (CID 167866231) is N-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide.
What is the SMILES notation for N-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide?
The canonical SMILES for N-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide is O=C(NS(=O)(=O)c1ccc(N2CCOCC2)nn1)c1ccsc1.
What is the InChIKey of N-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide?
The InChIKey is LDHYDYKXDISMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O4S2/c18-13(10-3-8-22-9-10)16-23(19,20)12-2-1-11(14-15-12)17-4-6-21-7-5-17/h1-3,8-9H,4-7H2,(H,16,18).
What are the key properties of N-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide?
N-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-morpholin-4-ylpyridazin-3-yl)sulfonylthiophene-3-carboxamide is sourced from PubChem (CID 167866231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).