1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride

C6H7ClN6O2S — CID 70676954

IUPAC1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride
SMILESCn1nnc(-c2cnn(C)c2S(=O)(=O)Cl)n1
InChIInChI=1S/C6H7ClN6O2S/c1-12-6(16(7,14)15)4(3-8-12)5-9-11-13(2)10-5/h3H,1-2H3
InChIKeyWCVKUHWGXGNJPC-UHFFFAOYSA-N
MW262.68 g/mol
LogP-0.46
Rot. Bonds2

About 1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride

1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride (PubChem CID 70676954) has the molecular formula C6H7ClN6O2S and a molecular weight of 262.68 g/mol. Its IUPAC name is 1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride.

Molecular Properties

Compound Name1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride
PubChem CID70676954
Molecular FormulaC6H7ClN6O2S
Molecular Weight262.68 g/mol
Exact Mass262.00
IUPAC Name1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride
SMILESCn1nnc(-c2cnn(C)c2S(=O)(=O)Cl)n1
InChIInChI=1S/C6H7ClN6O2S/c1-12-6(16(7,14)15)4(3-8-12)5-9-11-13(2)10-5/h3H,1-2H3
InChIKeyWCVKUHWGXGNJPC-UHFFFAOYSA-N
XLogP-0.46
TPSA95.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.68
LogP ≤ 5-0.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride?
The IUPAC name of 1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride (CID 70676954) is 1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride.
What is the SMILES notation for 1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride?
The canonical SMILES for 1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride is Cn1nnc(-c2cnn(C)c2S(=O)(=O)Cl)n1.
What is the InChIKey of 1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride?
The InChIKey is WCVKUHWGXGNJPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN6O2S/c1-12-6(16(7,14)15)4(3-8-12)5-9-11-13(2)10-5/h3H,1-2H3.
What are the key properties of 1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride?
1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride has a molecular weight of 262.68 g/mol, XLogP of -0.46, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonyl chloride is sourced from PubChem (CID 70676954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).