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

C11H8F3NO3S2 — CID 107971341

IUPAC4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1F)c1cc(CO)cs1
InChIInChI=1S/C11H8F3NO3S2/c12-7-1-2-8(11(14)10(7)13)15-20(17,18)9-3-6(4-16)5-19-9/h1-3,5,15-16H,4H2
InChIKeyDPWXOWLXKGWMGY-UHFFFAOYSA-N
MW323.32 g/mol
LogP2.46
Rot. Bonds4

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

4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide (PubChem CID 107971341) has the molecular formula C11H8F3NO3S2 and a molecular weight of 323.32 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide
PubChem CID107971341
Molecular FormulaC11H8F3NO3S2
Molecular Weight323.32 g/mol
Exact Mass322.99
IUPAC Name4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)c(F)c1F)c1cc(CO)cs1
InChIInChI=1S/C11H8F3NO3S2/c12-7-1-2-8(11(14)10(7)13)15-20(17,18)9-3-6(4-16)5-19-9/h1-3,5,15-16H,4H2
InChIKeyDPWXOWLXKGWMGY-UHFFFAOYSA-N
XLogP2.46
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.32
LogP ≤ 52.46
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-(aminomethyl)-N-(2,3-difluorophenyl)thiophene-2-sulfonamide
CID 106017490
2-(hydroxymethyl)-4-methyl-N-(2,3,4-trifluorophenyl)thiophene-3-sulfonamide
CID 107980210
4-(aminomethyl)-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 106056093
2,5-difluoro-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 9235627
5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 61026611
3-methyl-5-[(2,3,4-trifluorophenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 51115485
N-(2-fluoro-5-methoxyphenyl)-4-(methylaminomethyl)thiophene-2-sulfonamide
CID 106071824
4-(ethylaminomethyl)-N-(3-fluoro-2-methylphenyl)thiophene-2-sulfonamide
CID 106018431
4-(aminomethyl)-N-(2,3,5,6-tetrafluorophenyl)thiophene-2-sulfonamide
CID 106087571
4-amino-N-(2-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 61300923
N-(2,4-dimethylphenyl)-4-(ethylaminomethyl)thiophene-2-sulfonamide
CID 106060359
4-amino-N-(2,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55118253

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide (CID 107971341) is 4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(F)c(F)c1F)c1cc(CO)cs1.
What is the InChIKey of 4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide?
The InChIKey is DPWXOWLXKGWMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F3NO3S2/c12-7-1-2-8(11(14)10(7)13)15-20(17,18)9-3-6(4-16)5-19-9/h1-3,5,15-16H,4H2.
What are the key properties of 4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide?
4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide has a molecular weight of 323.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-(2,3,4-trifluorophenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 107971341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).