2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride

C8H10ClN5O2S — CID 107051968

IUPAC2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1Cc1cn(C)nn1
InChIInChI=1S/C8H10ClN5O2S/c1-6-10-8(17(9,15)16)5-14(6)4-7-3-13(2)12-11-7/h3,5H,4H2,1-2H3
InChIKeySEEVAQAAOUUAJW-UHFFFAOYSA-N
MW275.72 g/mol
LogP0.30
Rot. Bonds3

About 2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride

2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride (PubChem CID 107051968) has the molecular formula C8H10ClN5O2S and a molecular weight of 275.72 g/mol. Its IUPAC name is 2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride.

Molecular Properties

Compound Name2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride
PubChem CID107051968
Molecular FormulaC8H10ClN5O2S
Molecular Weight275.72 g/mol
Exact Mass275.02
IUPAC Name2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride
SMILESCc1nc(S(=O)(=O)Cl)cn1Cc1cn(C)nn1
InChIInChI=1S/C8H10ClN5O2S/c1-6-10-8(17(9,15)16)5-14(6)4-7-3-13(2)12-11-7/h3,5H,4H2,1-2H3
InChIKeySEEVAQAAOUUAJW-UHFFFAOYSA-N
XLogP0.30
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.72
LogP ≤ 50.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-(dimethylamino)ethyl]-2-methylimidazole-4-sulfonyl chloride
CID 82913371
1-but-3-ynyl-2-methylimidazole-4-sulfonyl chloride
CID 82913820
2-methyl-1-(2-propylsulfonylethyl)imidazole-4-sulfonyl chloride
CID 106728498
3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazole-4-sulfonyl chloride
CID 107051964
1-[(4-chloro-2-fluorophenyl)methyl]-2-methylimidazole-4-sulfonyl chloride
CID 114857558
4-fluoro-1-[(1-methyltriazol-4-yl)methyl]indole-3-sulfonyl chloride
CID 107051983
1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole
CID 107054359
2-methyl-1-(2-pyridin-3-ylethyl)imidazole-4-sulfonyl chloride
CID 82913595
1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-ethylimidazole-4-sulfonyl chloride
CID 82913605
1-[2-(ethylamino)-2-oxoethyl]-2-methylimidazole-4-sulfonyl chloride
CID 82911637
5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole
CID 130616524
3-chloro-1-[(1-methyltriazol-4-yl)methyl]pyrazin-2-one
CID 107052060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride?
The IUPAC name of 2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride (CID 107051968) is 2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride.
What is the SMILES notation for 2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride?
The canonical SMILES for 2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride is Cc1nc(S(=O)(=O)Cl)cn1Cc1cn(C)nn1.
What is the InChIKey of 2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride?
The InChIKey is SEEVAQAAOUUAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN5O2S/c1-6-10-8(17(9,15)16)5-14(6)4-7-3-13(2)12-11-7/h3,5H,4H2,1-2H3.
What are the key properties of 2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride?
2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride has a molecular weight of 275.72 g/mol, XLogP of 0.30, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(1-methyltriazol-4-yl)methyl]imidazole-4-sulfonyl chloride is sourced from PubChem (CID 107051968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).