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

C8H10F3NO3S2 — CID 102749770

IUPAC2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F3NO3S2/c1-5-3-16-6(2-13)7(5)17(14,15)12-4-8(9,10)11/h3,12-13H,2,4H2,1H3
InChIKeyGENIPJWAIAKPCF-UHFFFAOYSA-N
MW289.30 g/mol
LogP1.39
Rot. Bonds4

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

2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102749770) has the molecular formula C8H10F3NO3S2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102749770
Molecular FormulaC8H10F3NO3S2
Molecular Weight289.30 g/mol
Exact Mass289.01
IUPAC Name2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C8H10F3NO3S2/c1-5-3-16-6(2-13)7(5)17(14,15)12-4-8(9,10)11/h3,12-13H,2,4H2,1H3
InChIKeyGENIPJWAIAKPCF-UHFFFAOYSA-N
XLogP1.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
5-(hydroxymethyl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 65733005
5-(hydroxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 65734534
N-ethyl-5-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-2-sulfonamide
CID 65735298
N-ethyl-5-(hydroxymethyl)-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65736833
5-(hydroxymethyl)-N-propyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
CID 65737995
5-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 65738790
5-(hydroxymethyl)-2-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 65738791
2-(hydroxymethyl)-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 65739173
5-(hydroxymethyl)-4-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 65740536

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102749770) is 2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is Cc1csc(CO)c1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is GENIPJWAIAKPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO3S2/c1-5-3-16-6(2-13)7(5)17(14,15)12-4-8(9,10)11/h3,12-13H,2,4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 289.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102749770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).