1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide

C12H12F3N3O2S — CID 47092092

IUPAC1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cn1C
InChIInChI=1S/C12H12F3N3O2S/c1-8-16-11(7-18(8)2)21(19,20)17-10-5-3-9(4-6-10)12(13,14)15/h3-7,17H,1-2H3
InChIKeyFDERGKOCVPYBRX-UHFFFAOYSA-N
MW319.31 g/mol
LogP2.55
Rot. Bonds3

About 1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide

1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide (PubChem CID 47092092) has the molecular formula C12H12F3N3O2S and a molecular weight of 319.31 g/mol. Its IUPAC name is 1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
PubChem CID47092092
Molecular FormulaC12H12F3N3O2S
Molecular Weight319.31 g/mol
Exact Mass319.06
IUPAC Name1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cn1C
InChIInChI=1S/C12H12F3N3O2S/c1-8-16-11(7-18(8)2)21(19,20)17-10-5-3-9(4-6-10)12(13,14)15/h3-7,17H,1-2H3
InChIKeyFDERGKOCVPYBRX-UHFFFAOYSA-N
XLogP2.55
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
The IUPAC name of 1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide (CID 47092092) is 1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
The canonical SMILES for 1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)cn1C.
What is the InChIKey of 1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
The InChIKey is FDERGKOCVPYBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3O2S/c1-8-16-11(7-18(8)2)21(19,20)17-10-5-3-9(4-6-10)12(13,14)15/h3-7,17H,1-2H3.
What are the key properties of 1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide?
1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide has a molecular weight of 319.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-N-[4-(trifluoromethyl)phenyl]imidazole-4-sulfonamide is sourced from PubChem (CID 47092092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).