5-(benzenesulfonyl)-1-methyltetrazole

C8H8N4O2S — CID 86201012

IUPAC5-(benzenesulfonyl)-1-methyltetrazole
SMILESCn1nnnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C8H8N4O2S/c1-12-8(9-10-11-12)15(13,14)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyCMMROSZAOZTVCM-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.04
Rot. Bonds2

About 5-(benzenesulfonyl)-1-methyltetrazole

5-(benzenesulfonyl)-1-methyltetrazole (PubChem CID 86201012) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-1-methyltetrazole.

Molecular Properties

Compound Name5-(benzenesulfonyl)-1-methyltetrazole
PubChem CID86201012
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Name5-(benzenesulfonyl)-1-methyltetrazole
SMILESCn1nnnc1S(=O)(=O)c1ccccc1
InChIInChI=1S/C8H8N4O2S/c1-12-8(9-10-11-12)15(13,14)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyCMMROSZAOZTVCM-UHFFFAOYSA-N
XLogP0.04
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(benzenesulfonyl)-4-iodo-1-methylimidazole
CID 102387991
3,6-bis(benzenesulfonyl)-1,2,4,5-tetrazine
CID 71416027
benzenesulfonylbenzene;ethane;methanol
CID 123145310
benzene;benzenesulfonylbenzene;ethane;methoxymethane;methylsulfonylmethane
CID 157418553
2-(benzenesulfonyl)-1-hydroxy-5-methylimidazol-4-ol
CID 150917598
benzene;benzenesulfonylbenzene;ethane;methoxymethane
CID 158977372
2-(1-methyltetrazol-5-yl)benzenesulfonamide
CID 14179829
5-[(2S)-2-methylbutyl]sulfonyl-1-phenyltetrazole
CID 10707883
1,3-bis[5-(4-methylphenyl)sulfonyltetrazol-1-yl]-2-[[5-(4-methylphenyl)sulfonyltetrazol-1-yl]methyl]propan-2-ol
CID 101338964
1,2-bis(benzenesulfonyl)benzene
CID 19980733
benzenesulfonylbenzene;formonitrile
CID 174749173
1,3,5-tris(benzenesulfonyl)benzene
CID 11027467

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-1-methyltetrazole?
The IUPAC name of 5-(benzenesulfonyl)-1-methyltetrazole (CID 86201012) is 5-(benzenesulfonyl)-1-methyltetrazole.
What is the SMILES notation for 5-(benzenesulfonyl)-1-methyltetrazole?
The canonical SMILES for 5-(benzenesulfonyl)-1-methyltetrazole is Cn1nnnc1S(=O)(=O)c1ccccc1.
What is the InChIKey of 5-(benzenesulfonyl)-1-methyltetrazole?
The InChIKey is CMMROSZAOZTVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2S/c1-12-8(9-10-11-12)15(13,14)7-5-3-2-4-6-7/h2-6H,1H3.
What are the key properties of 5-(benzenesulfonyl)-1-methyltetrazole?
5-(benzenesulfonyl)-1-methyltetrazole has a molecular weight of 224.25 g/mol, XLogP of 0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-1-methyltetrazole is sourced from PubChem (CID 86201012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).