2-methyl-1H-imidazole-5-sulfonyl fluoride

C4H5FN2O2S — CID 122236124

IUPAC2-methyl-1H-imidazole-5-sulfonyl fluoride
SMILESCc1ncc(S(=O)(=O)F)[nH]1
InChIInChI=1S/C4H5FN2O2S/c1-3-6-2-4(7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChIKeyKVJMUIKRSQNIIJ-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.38
Rot. Bonds1

About 2-methyl-1H-imidazole-5-sulfonyl fluoride

2-methyl-1H-imidazole-5-sulfonyl fluoride (PubChem CID 122236124) has the molecular formula C4H5FN2O2S and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-methyl-1H-imidazole-5-sulfonyl fluoride.

Molecular Properties

Compound Name2-methyl-1H-imidazole-5-sulfonyl fluoride
PubChem CID122236124
Molecular FormulaC4H5FN2O2S
Molecular Weight164.16 g/mol
Exact Mass164.01
IUPAC Name2-methyl-1H-imidazole-5-sulfonyl fluoride
SMILESCc1ncc(S(=O)(=O)F)[nH]1
InChIInChI=1S/C4H5FN2O2S/c1-3-6-2-4(7-3)10(5,8)9/h2H,1H3,(H,6,7)
InChIKeyKVJMUIKRSQNIIJ-UHFFFAOYSA-N
XLogP0.38
TPSA62.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62998345
N-(3,5-dimethylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 62997984
2-methyl-N-(2,4,6-trimethylphenyl)-1H-imidazole-5-sulfonamide
CID 62999451
2-methyl-N-(3-methylpentan-3-yl)-1H-imidazole-5-sulfonamide
CID 103908379
N-[3-(methanesulfonamido)propyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 113349618
N-[(2R)-1-aminopropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 104873303
N-(2-hydroxy-2-methylpropyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 65109036
N-[(2R)-1-hydroxypropan-2-yl]-2-methyl-1H-imidazole-5-sulfonamide
CID 79027971
N-(2,6-dibromophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 104922595
2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide
CID 63000218
N-[(3-chlorocyclobutyl)methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 66004178
2-methyl-N-(2-methyl-2-methylsulfonylpropyl)-1H-imidazole-5-sulfonamide
CID 79555580

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1H-imidazole-5-sulfonyl fluoride?
The IUPAC name of 2-methyl-1H-imidazole-5-sulfonyl fluoride (CID 122236124) is 2-methyl-1H-imidazole-5-sulfonyl fluoride.
What is the SMILES notation for 2-methyl-1H-imidazole-5-sulfonyl fluoride?
The canonical SMILES for 2-methyl-1H-imidazole-5-sulfonyl fluoride is Cc1ncc(S(=O)(=O)F)[nH]1.
What is the InChIKey of 2-methyl-1H-imidazole-5-sulfonyl fluoride?
The InChIKey is KVJMUIKRSQNIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5FN2O2S/c1-3-6-2-4(7-3)10(5,8)9/h2H,1H3,(H,6,7).
What are the key properties of 2-methyl-1H-imidazole-5-sulfonyl fluoride?
2-methyl-1H-imidazole-5-sulfonyl fluoride has a molecular weight of 164.16 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1H-imidazole-5-sulfonyl fluoride is sourced from PubChem (CID 122236124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).