5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole

C7H11ClN4O2S — CID 146140843

IUPAC5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole
SMILESC/C(=C\Cl)CS(=O)(=O)Cc1nnn(C)n1
InChIInChI=1S/C7H11ClN4O2S/c1-6(3-8)4-15(13,14)5-7-9-11-12(2)10-7/h3H,4-5H2,1-2H3/b6-3+
InChIKeyPICYIDCLJNROCI-ZZXKWVIFSA-N
MW250.71 g/mol
LogP0.27
Rot. Bonds4

About 5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole

5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole (PubChem CID 146140843) has the molecular formula C7H11ClN4O2S and a molecular weight of 250.71 g/mol. Its IUPAC name is 5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole.

Molecular Properties

Compound Name5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole
PubChem CID146140843
Molecular FormulaC7H11ClN4O2S
Molecular Weight250.71 g/mol
Exact Mass250.03
IUPAC Name5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole
SMILESC/C(=C\Cl)CS(=O)(=O)Cc1nnn(C)n1
InChIInChI=1S/C7H11ClN4O2S/c1-6(3-8)4-15(13,14)5-7-9-11-12(2)10-7/h3H,4-5H2,1-2H3/b6-3+
InChIKeyPICYIDCLJNROCI-ZZXKWVIFSA-N
XLogP0.27
TPSA77.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.71
LogP ≤ 50.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[(2-methyltetrazol-5-yl)methyl]methanesulfonamide
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2,2-dimethyl-3-(2-methyltetrazol-5-yl)propanoic acid
CID 107045107
3-(2-methyltetrazol-5-yl)propanoic acid
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2-[(2-methyltetrazol-5-yl)methylsulfonylmethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 175774116
3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine
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5-(3-chloro-2-methylbutyl)-2-methyltetrazole
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2-(2-methyltetrazol-5-yl)-1-(1H-pyrazol-4-yl)ethanone
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CID 107052530

Frequently Asked Questions

What is the IUPAC name of 5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole?
The IUPAC name of 5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole (CID 146140843) is 5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole.
What is the SMILES notation for 5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole?
The canonical SMILES for 5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole is C/C(=C\Cl)CS(=O)(=O)Cc1nnn(C)n1.
What is the InChIKey of 5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole?
The InChIKey is PICYIDCLJNROCI-ZZXKWVIFSA-N. The full InChI is InChI=1S/C7H11ClN4O2S/c1-6(3-8)4-15(13,14)5-7-9-11-12(2)10-7/h3H,4-5H2,1-2H3/b6-3+.
What are the key properties of 5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole?
5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole has a molecular weight of 250.71 g/mol, XLogP of 0.27, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(E)-3-chloro-2-methylprop-2-enyl]sulfonylmethyl]-2-methyltetrazole is sourced from PubChem (CID 146140843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).