1-[(4-methylphenyl)sulfonylmethyl]tetrazole

C9H10N4O2S — CID 649853

IUPAC1-[(4-methylphenyl)sulfonylmethyl]tetrazole
SMILESCc1ccc(S(=O)(=O)Cn2cnnn2)cc1
InChIInChI=1S/C9H10N4O2S/c1-8-2-4-9(5-3-8)16(14,15)7-13-6-10-11-12-13/h2-6H,7H2,1H3
InChIKeyJAYPFWRSZPNPPF-UHFFFAOYSA-N
MW238.27 g/mol
LogP0.41
Rot. Bonds3

About 1-[(4-methylphenyl)sulfonylmethyl]tetrazole

1-[(4-methylphenyl)sulfonylmethyl]tetrazole (PubChem CID 649853) has the molecular formula C9H10N4O2S and a molecular weight of 238.27 g/mol. Its IUPAC name is 1-[(4-methylphenyl)sulfonylmethyl]tetrazole.

Molecular Properties

Compound Name1-[(4-methylphenyl)sulfonylmethyl]tetrazole
PubChem CID649853
Molecular FormulaC9H10N4O2S
Molecular Weight238.27 g/mol
Exact Mass238.05
IUPAC Name1-[(4-methylphenyl)sulfonylmethyl]tetrazole
SMILESCc1ccc(S(=O)(=O)Cn2cnnn2)cc1
InChIInChI=1S/C9H10N4O2S/c1-8-2-4-9(5-3-8)16(14,15)7-13-6-10-11-12-13/h2-6H,7H2,1H3
InChIKeyJAYPFWRSZPNPPF-UHFFFAOYSA-N
XLogP0.41
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-Methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 561405
1-(p-Toluenesulfonyl)-1,2,4-triazole
CID 3505424
4-methyl-N-{2-[(1-methyl-1H-tetrazol-5-yl)sulfanyl]ethyl}benzenesulfonamide
CID 660995
S-(1-Methyl-1H-tetrazol-5-yl) 4-methylbenzenesulfonothioate
CID 326378
5-[(1,1-dioxido-1-benzothiophen-3-yl)sulfanyl]-1-methyl-1H-tetrazole
CID 16763739
1-Methyl-5-[(4-methylphenyl)methylsulfonyl]-1,2,4-triazole
CID 86792409
N,N-dimethyl-3-[4-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole-1-sulfonamide
CID 22401448
5-Benzylsulfonyl-1-methyltetrazole
CID 13518830
1-Cyclohexyl-5-(4-methylphenyl)sulfonyltetrazole
CID 12079303
1-[(E)-3-(4-methylsulfanylphenyl)prop-2-enyl]tetrazole
CID 134862648
Trimethyl benzene sulfonyl tetrazole
CID 146020824
1-Methyl-5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]tetrazole
CID 39528741

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)sulfonylmethyl]tetrazole?
The IUPAC name of 1-[(4-methylphenyl)sulfonylmethyl]tetrazole (CID 649853) is 1-[(4-methylphenyl)sulfonylmethyl]tetrazole.
What is the SMILES notation for 1-[(4-methylphenyl)sulfonylmethyl]tetrazole?
The canonical SMILES for 1-[(4-methylphenyl)sulfonylmethyl]tetrazole is Cc1ccc(S(=O)(=O)Cn2cnnn2)cc1.
What is the InChIKey of 1-[(4-methylphenyl)sulfonylmethyl]tetrazole?
The InChIKey is JAYPFWRSZPNPPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O2S/c1-8-2-4-9(5-3-8)16(14,15)7-13-6-10-11-12-13/h2-6H,7H2,1H3.
What are the key properties of 1-[(4-methylphenyl)sulfonylmethyl]tetrazole?
1-[(4-methylphenyl)sulfonylmethyl]tetrazole has a molecular weight of 238.27 g/mol, XLogP of 0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)sulfonylmethyl]tetrazole is sourced from PubChem (CID 649853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).