N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

C13H15N3O4S2 — CID 92723328

IUPACN-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)s2)n[nH]1
InChIInChI=1S/C13H15N3O4S2/c17-12-5-3-10(15-16-12)11-4-6-13(21-11)22(18,19)14-8-9-2-1-7-20-9/h3-6,9,14H,1-2,7-8H2,(H,16,17)/t9-/m0/s1
InChIKeyGELKEVNXJBCKSX-VIFPVBQESA-N
MW341.41 g/mol
LogP0.96
Rot. Bonds5

About N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide

N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (PubChem CID 92723328) has the molecular formula C13H15N3O4S2 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
PubChem CID92723328
Molecular FormulaC13H15N3O4S2
Molecular Weight341.41 g/mol
Exact Mass341.05
IUPAC NameN-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
SMILESO=c1ccc(-c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)s2)n[nH]1
InChIInChI=1S/C13H15N3O4S2/c17-12-5-3-10(15-16-12)11-4-6-13(21-11)22(18,19)14-8-9-2-1-7-20-9/h3-6,9,14H,1-2,7-8H2,(H,16,17)/t9-/m0/s1
InChIKeyGELKEVNXJBCKSX-VIFPVBQESA-N
XLogP0.96
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide with MolForge

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Related Compounds

5-(2-aminoethyl)-N-(oxolan-2-ylmethyl)thiophene-2-sulfonamide
CID 43520923
N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 92706628
N-[[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 20939854
3-(oxolan-2-ylmethyl)-1H-pyridazin-6-one
CID 117105951
N-(oxan-2-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55013696
2-methyl-5-(1,2-oxazol-5-yl)-N-(oxolan-2-ylmethyl)thiophene-3-sulfonamide
CID 53079495
2-[(5-bromothiophen-2-yl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 112991395
N-(cyclopropylmethyl)-4-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide
CID 53135082
4-chloro-N-[[(2R)-oxolan-2-yl]methyl]benzenesulfonamide
CID 767831
N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 110865617
2-chloro-N-(oxolan-2-ylmethyl)pyridine-3-sulfonamide
CID 43456566
2,4,5-trichloro-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 2897340

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The IUPAC name of N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide (CID 92723328) is N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide.
What is the SMILES notation for N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The canonical SMILES for N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is O=c1ccc(-c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)s2)n[nH]1.
What is the InChIKey of N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
The InChIKey is GELKEVNXJBCKSX-VIFPVBQESA-N. The full InChI is InChI=1S/C13H15N3O4S2/c17-12-5-3-10(15-16-12)11-4-6-13(21-11)22(18,19)14-8-9-2-1-7-20-9/h3-6,9,14H,1-2,7-8H2,(H,16,17)/t9-/m0/s1.
What are the key properties of N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide?
N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide has a molecular weight of 341.41 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-oxolan-2-yl]methyl]-5-(6-oxo-1H-pyridazin-3-yl)thiophene-2-sulfonamide is sourced from PubChem (CID 92723328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).