4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide

C7H8N6O2S2 — CID 46703925

IUPAC4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide
SMILESCn1nnnc1Sc1ccncc1S(N)(=O)=O
InChIInChI=1S/C7H8N6O2S2/c1-13-7(10-11-12-13)16-5-2-3-9-4-6(5)17(8,14)15/h2-4H,1H3,(H2,8,14,15)
InChIKeyQTDUQCQNDOKLDS-UHFFFAOYSA-N
MW272.32 g/mol
LogP-0.60
Rot. Bonds3

About 4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide

4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide (PubChem CID 46703925) has the molecular formula C7H8N6O2S2 and a molecular weight of 272.32 g/mol. Its IUPAC name is 4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide.

Molecular Properties

Compound Name4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide
PubChem CID46703925
Molecular FormulaC7H8N6O2S2
Molecular Weight272.32 g/mol
Exact Mass272.02
IUPAC Name4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide
SMILESCn1nnnc1Sc1ccncc1S(N)(=O)=O
InChIInChI=1S/C7H8N6O2S2/c1-13-7(10-11-12-13)16-5-2-3-9-4-6(5)17(8,14)15/h2-4H,1H3,(H2,8,14,15)
InChIKeyQTDUQCQNDOKLDS-UHFFFAOYSA-N
XLogP-0.60
TPSA116.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide?
The IUPAC name of 4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide (CID 46703925) is 4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide.
What is the SMILES notation for 4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide?
The canonical SMILES for 4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide is Cn1nnnc1Sc1ccncc1S(N)(=O)=O.
What is the InChIKey of 4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide?
The InChIKey is QTDUQCQNDOKLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N6O2S2/c1-13-7(10-11-12-13)16-5-2-3-9-4-6(5)17(8,14)15/h2-4H,1H3,(H2,8,14,15).
What are the key properties of 4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide?
4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide has a molecular weight of 272.32 g/mol, XLogP of -0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyltetrazol-5-yl)sulfanylpyridine-3-sulfonamide is sourced from PubChem (CID 46703925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).