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

C9H12F3NO3S2 — CID 102749725

IUPAC2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H12F3NO3S2/c1-6-4-17-7(3-14)8(6)18(15,16)13(2)5-9(10,11)12/h4,14H,3,5H2,1-2H3
InChIKeyUKWMVOOQMLFSBI-UHFFFAOYSA-N
MW303.33 g/mol
LogP1.73
Rot. Bonds4

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

2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (PubChem CID 102749725) has the molecular formula C9H12F3NO3S2 and a molecular weight of 303.33 g/mol. Its IUPAC name is 2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
PubChem CID102749725
Molecular FormulaC9H12F3NO3S2
Molecular Weight303.33 g/mol
Exact Mass303.02
IUPAC Name2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C9H12F3NO3S2/c1-6-4-17-7(3-14)8(6)18(15,16)13(2)5-9(10,11)12/h4,14H,3,5H2,1-2H3
InChIKeyUKWMVOOQMLFSBI-UHFFFAOYSA-N
XLogP1.73
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 51.73
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
5-(hydroxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-2-sulfonamide
CID 65733387
[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
5-(hydroxymethyl)-N,2-dimethyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 65734535
2-(hydroxymethyl)-N-methyl-N-(3,3,3-trifluoropropyl)thiophene-3-sulfonamide
CID 65734727

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide (CID 102749725) is 2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is Cc1csc(CO)c1S(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
The InChIKey is UKWMVOOQMLFSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3NO3S2/c1-6-4-17-7(3-14)8(6)18(15,16)13(2)5-9(10,11)12/h4,14H,3,5H2,1-2H3.
What are the key properties of 2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide?
2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide has a molecular weight of 303.33 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-N,4-dimethyl-N-(2,2,2-trifluoroethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 102749725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).