1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide

C10H12F3N5O2S — CID 154739176

IUPAC1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(c2cnn(C)c2)C(F)(F)F)c1
InChIInChI=1S/C10H12F3N5O2S/c1-17-5-8(14-6-17)21(19,20)16-9(10(11,12)13)7-3-15-18(2)4-7/h3-6,9,16H,1-2H3
InChIKeyLZPSUWBGHVDDCL-UHFFFAOYSA-N
MW323.30 g/mol
LogP0.74
Rot. Bonds4

About 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide

1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide (PubChem CID 154739176) has the molecular formula C10H12F3N5O2S and a molecular weight of 323.30 g/mol. Its IUPAC name is 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide
PubChem CID154739176
Molecular FormulaC10H12F3N5O2S
Molecular Weight323.30 g/mol
Exact Mass323.07
IUPAC Name1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide
SMILESCn1cnc(S(=O)(=O)NC(c2cnn(C)c2)C(F)(F)F)c1
InChIInChI=1S/C10H12F3N5O2S/c1-17-5-8(14-6-17)21(19,20)16-9(10(11,12)13)7-3-15-18(2)4-7/h3-6,9,16H,1-2H3
InChIKeyLZPSUWBGHVDDCL-UHFFFAOYSA-N
XLogP0.74
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide?
The IUPAC name of 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide (CID 154739176) is 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide.
What is the SMILES notation for 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide?
The canonical SMILES for 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide is Cn1cnc(S(=O)(=O)NC(c2cnn(C)c2)C(F)(F)F)c1.
What is the InChIKey of 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide?
The InChIKey is LZPSUWBGHVDDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5O2S/c1-17-5-8(14-6-17)21(19,20)16-9(10(11,12)13)7-3-15-18(2)4-7/h3-6,9,16H,1-2H3.
What are the key properties of 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide?
1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide has a molecular weight of 323.30 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]imidazole-4-sulfonamide is sourced from PubChem (CID 154739176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).