N-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide

C11H10FNO3S2 — CID 20624342

IUPACN-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccsc1CO
InChIInChI=1S/C11H10FNO3S2/c12-8-1-3-9(4-2-8)13-18(15,16)11-5-6-17-10(11)7-14/h1-6,13-14H,7H2
InChIKeyGTJGJBPXJIVJPW-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.18
Rot. Bonds4

About N-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide

N-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide (PubChem CID 20624342) has the molecular formula C11H10FNO3S2 and a molecular weight of 287.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide
PubChem CID20624342
Molecular FormulaC11H10FNO3S2
Molecular Weight287.34 g/mol
Exact Mass287.01
IUPAC NameN-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(F)cc1)c1ccsc1CO
InChIInChI=1S/C11H10FNO3S2/c12-8-1-3-9(4-2-8)13-18(15,16)11-5-6-17-10(11)7-14/h1-6,13-14H,7H2
InChIKeyGTJGJBPXJIVJPW-UHFFFAOYSA-N
XLogP2.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide (CID 20624342) is N-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide is O=S(=O)(Nc1ccc(F)cc1)c1ccsc1CO.
What is the InChIKey of N-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide?
The InChIKey is GTJGJBPXJIVJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3S2/c12-8-1-3-9(4-2-8)13-18(15,16)11-5-6-17-10(11)7-14/h1-6,13-14H,7H2.
What are the key properties of N-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide?
N-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide has a molecular weight of 287.34 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(hydroxymethyl)thiophene-3-sulfonamide is sourced from PubChem (CID 20624342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).