2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

C12H18F3NO2S2 — CID 78877714

IUPAC2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CC(C)C)CC(F)(F)F)c(C)s1
InChIInChI=1S/C12H18F3NO2S2/c1-8(2)6-16(7-12(13,14)15)20(17,18)11-5-9(3)19-10(11)4/h5,8H,6-7H2,1-4H3
InChIKeyMLBVYMMQSKFQMC-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.57
Rot. Bonds5

About 2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 78877714) has the molecular formula C12H18F3NO2S2 and a molecular weight of 329.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID78877714
Molecular FormulaC12H18F3NO2S2
Molecular Weight329.41 g/mol
Exact Mass329.07
IUPAC Name2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1cc(S(=O)(=O)N(CC(C)C)CC(F)(F)F)c(C)s1
InChIInChI=1S/C12H18F3NO2S2/c1-8(2)6-16(7-12(13,14)15)20(17,18)11-5-9(3)19-10(11)4/h5,8H,6-7H2,1-4H3
InChIKeyMLBVYMMQSKFQMC-UHFFFAOYSA-N
XLogP3.57
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 78877714) is 2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is Cc1cc(S(=O)(=O)N(CC(C)C)CC(F)(F)F)c(C)s1.
What is the InChIKey of 2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is MLBVYMMQSKFQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2S2/c1-8(2)6-16(7-12(13,14)15)20(17,18)11-5-9(3)19-10(11)4/h5,8H,6-7H2,1-4H3.
What are the key properties of 2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 329.41 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 78877714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).