2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide

C11H10F3N3O2S — CID 62998902

IUPAC2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C11H10F3N3O2S/c1-7-15-6-10(16-7)20(18,19)17-9-4-2-3-8(5-9)11(12,13)14/h2-6,17H,1H3,(H,15,16)
InChIKeyCWJQSDLYNHMSPB-UHFFFAOYSA-N
MW305.28 g/mol
LogP2.54
Rot. Bonds3

About 2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide

2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide (PubChem CID 62998902) has the molecular formula C11H10F3N3O2S and a molecular weight of 305.28 g/mol. Its IUPAC name is 2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide
PubChem CID62998902
Molecular FormulaC11H10F3N3O2S
Molecular Weight305.28 g/mol
Exact Mass305.04
IUPAC Name2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide
SMILESCc1ncc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)[nH]1
InChIInChI=1S/C11H10F3N3O2S/c1-7-15-6-10(16-7)20(18,19)17-9-4-2-3-8(5-9)11(12,13)14/h2-6,17H,1H3,(H,15,16)
InChIKeyCWJQSDLYNHMSPB-UHFFFAOYSA-N
XLogP2.54
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.28
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(3-methylphenyl)-1H-imidazole-5-sulfonamide
CID 63000163
3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]benzoic acid
CID 62999270
2-methyl-N-quinoxalin-6-yl-1H-imidazole-5-sulfonamide
CID 63000218
N-(3-hydroxy-4-methylphenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 64794398
2-[3-[(2-methyl-1H-imidazol-5-yl)sulfonylamino]phenoxy]acetamide
CID 63000197
3,5-dimethyl-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide;hydrochloride
CID 126460275
N-(2,6-dibromophenyl)-2-methyl-1H-imidazole-5-sulfonamide
CID 104922595
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
2,4-dimethyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-sulfonamide
CID 166223413
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
3-[(4-fluorophenyl)sulfonylamino]-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 17424474
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide?
The IUPAC name of 2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide (CID 62998902) is 2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide.
What is the SMILES notation for 2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide?
The canonical SMILES for 2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide is Cc1ncc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)[nH]1.
What is the InChIKey of 2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide?
The InChIKey is CWJQSDLYNHMSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2S/c1-7-15-6-10(16-7)20(18,19)17-9-4-2-3-8(5-9)11(12,13)14/h2-6,17H,1H3,(H,15,16).
What are the key properties of 2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide?
2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide has a molecular weight of 305.28 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(trifluoromethyl)phenyl]-1H-imidazole-5-sulfonamide is sourced from PubChem (CID 62998902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).