2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

C11H16F3NO3S2 — CID 102749904

IUPAC2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H16F3NO3S2/c1-7(2)15(6-11(12,13)14)20(17,18)10-8(3)5-19-9(10)4-16/h5,7,16H,4,6H2,1-3H3
InChIKeyPMFKUNIEEPETAF-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.51
Rot. Bonds5

About 2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide

2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102749904) has the molecular formula C11H16F3NO3S2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102749904
Molecular FormulaC11H16F3NO3S2
Molecular Weight331.38 g/mol
Exact Mass331.05
IUPAC Name2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)N(CC(F)(F)F)C(C)C
InChIInChI=1S/C11H16F3NO3S2/c1-7(2)15(6-11(12,13)14)20(17,18)10-8(3)5-19-9(10)4-16/h5,7,16H,4,6H2,1-3H3
InChIKeyPMFKUNIEEPETAF-UHFFFAOYSA-N
XLogP2.51
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65729018
2-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65729397
5-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65729783
[3-Methyl-5-[3-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanol
CID 65732050
5-(hydroxymethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 65733005
[4-[3-(Trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanol
CID 65734344
5-(hydroxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 65734534
2-(hydroxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 65734727
2-(hydroxymethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65735116
N-ethyl-5-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65735298
N-cyclopropyl-5-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65735305
N-cyclopropyl-2-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65735497

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102749904) is 2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is Cc1csc(CO)c1S(=O)(=O)N(CC(F)(F)F)C(C)C.
What is the InChIKey of 2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is PMFKUNIEEPETAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3NO3S2/c1-7(2)15(6-11(12,13)14)20(17,18)10-8(3)5-19-9(10)4-16/h5,7,16H,4,6H2,1-3H3.
What are the key properties of 2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 331.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102749904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).