5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide

C9H9N7O2S2 — CID 16582452

IUPAC5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccc3nnnn3n2)s1
InChIInChI=1S/C9H9N7O2S2/c10-20(17,18)9-4-1-6(19-9)5-11-7-2-3-8-12-14-15-16(8)13-7/h1-4H,5H2,(H,11,13)(H2,10,17,18)
InChIKeyKPMXKUIQEYHWHA-UHFFFAOYSA-N
MW311.35 g/mol
LogP-0.16
Rot. Bonds4

About 5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide

5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide (PubChem CID 16582452) has the molecular formula C9H9N7O2S2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide
PubChem CID16582452
Molecular FormulaC9H9N7O2S2
Molecular Weight311.35 g/mol
Exact Mass311.03
IUPAC Name5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(CNc2ccc3nnnn3n2)s1
InChIInChI=1S/C9H9N7O2S2/c10-20(17,18)9-4-1-6(19-9)5-11-7-2-3-8-12-14-15-16(8)13-7/h1-4H,5H2,(H,11,13)(H2,10,17,18)
InChIKeyKPMXKUIQEYHWHA-UHFFFAOYSA-N
XLogP-0.16
TPSA128.16 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide (CID 16582452) is 5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(CNc2ccc3nnnn3n2)s1.
What is the InChIKey of 5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide?
The InChIKey is KPMXKUIQEYHWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N7O2S2/c10-20(17,18)9-4-1-6(19-9)5-11-7-2-3-8-12-14-15-16(8)13-7/h1-4H,5H2,(H,11,13)(H2,10,17,18).
What are the key properties of 5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide?
5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide has a molecular weight of 311.35 g/mol, XLogP of -0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(tetrazolo[1,5-b]pyridazin-6-ylamino)methyl]thiophene-2-sulfonamide is sourced from PubChem (CID 16582452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).