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

C12H10F3NO3S2 — CID 107980210

IUPAC2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H10F3NO3S2/c1-6-5-20-9(4-17)12(6)21(18,19)16-8-3-2-7(13)10(14)11(8)15/h2-3,5,16-17H,4H2,1H3
InChIKeyKHSPHGRIXNRCPM-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.77
Rot. Bonds4

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

2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide (PubChem CID 107980210) has the molecular formula C12H10F3NO3S2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide
PubChem CID107980210
Molecular FormulaC12H10F3NO3S2
Molecular Weight337.34 g/mol
Exact Mass337.01
IUPAC Name2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide
SMILESCc1csc(CO)c1S(=O)(=O)Nc1ccc(F)c(F)c1F
InChIInChI=1S/C12H10F3NO3S2/c1-6-5-20-9(4-17)12(6)21(18,19)16-8-3-2-7(13)10(14)11(8)15/h2-3,5,16-17H,4H2,1H3
InChIKeyKHSPHGRIXNRCPM-UHFFFAOYSA-N
XLogP2.77
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide
CID 107971341
2-(aminomethyl)-4-methyl-N-(2,4,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056068
N-(3-ethyl-1-methylpyrazol-4-yl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 106000617
2-(hydroxymethyl)-4-methyl-N-pentan-3-ylthiophene-3-sulfonamide
CID 114132226
N-cyclopropyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749752
2-(aminomethyl)-N-(5-chloro-2-methylphenyl)-4-methylthiophene-3-sulfonamide
CID 106031154
N-butyl-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 102749765
N-(3,3-dimethylbutyl)-2-(hydroxymethyl)-4-methylthiophene-3-sulfonamide
CID 114135631
2-(aminomethyl)-4-methyl-N-(3,4,5-trifluorophenyl)thiophene-3-sulfonamide
CID 106056298
2-(hydroxymethyl)-4-methyl-N-(4-methyloxan-4-yl)thiophene-3-sulfonamide
CID 102750244
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544
4-fluoro-2-methyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 24656227

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide?
The IUPAC name of 2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide (CID 107980210) is 2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide.
What is the SMILES notation for 2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide?
The canonical SMILES for 2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide is Cc1csc(CO)c1S(=O)(=O)Nc1ccc(F)c(F)c1F.
What is the InChIKey of 2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide?
The InChIKey is KHSPHGRIXNRCPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3S2/c1-6-5-20-9(4-17)12(6)21(18,19)16-8-3-2-7(13)10(14)11(8)15/h2-3,5,16-17H,4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide?
2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide has a molecular weight of 337.34 g/mol, XLogP of 2.77, 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-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide is sourced from PubChem (CID 107980210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).