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

C10H14F3NO3S2 — CID 102749894

IUPACN-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C10H14F3NO3S2/c1-3-14(6-10(11,12)13)19(16,17)9-7(2)5-18-8(9)4-15/h5,15H,3-4,6H2,1-2H3
InChIKeyXEFRADUNJNXCJK-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.12
Rot. Bonds5

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

N-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102749894) has the molecular formula C10H14F3NO3S2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102749894
Molecular FormulaC10H14F3NO3S2
Molecular Weight317.35 g/mol
Exact Mass317.04
IUPAC NameN-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CO
InChIInChI=1S/C10H14F3NO3S2/c1-3-14(6-10(11,12)13)19(16,17)9-7(2)5-18-8(9)4-15/h5,15H,3-4,6H2,1-2H3
InChIKeyXEFRADUNJNXCJK-UHFFFAOYSA-N
XLogP2.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65728833
5-(hydroxymethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65729018
5-(hydroxymethyl)-N,2-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65729019
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-[4-(Trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanol
CID 65733008
5-(hydroxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 65733387
[3-Methyl-5-[4-(trifluoromethyl)piperidin-1-yl]sulfonylthiophen-2-yl]methanol
CID 65733774
[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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of N-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102749894) is N-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is CCN(CC(F)(F)F)S(=O)(=O)c1c(C)csc1CO.
What is the InChIKey of N-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is XEFRADUNJNXCJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3NO3S2/c1-3-14(6-10(11,12)13)19(16,17)9-7(2)5-18-8(9)4-15/h5,15H,3-4,6H2,1-2H3.
What are the key properties of N-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
N-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 317.35 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102749894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).