5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide

C11H10FNO3S2 — CID 10517388

IUPAC5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1csc(C(O)c2cccc(F)c2)c1
InChIInChI=1S/C11H10FNO3S2/c12-8-3-1-2-7(4-8)11(14)10-5-9(6-17-10)18(13,15)16/h1-6,11,14H,(H2,13,15,16)
InChIKeyCGGWFDHGPBVLLM-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.62
Rot. Bonds3

About 5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide

5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide (PubChem CID 10517388) has the molecular formula C11H10FNO3S2 and a molecular weight of 287.34 g/mol. Its IUPAC name is 5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide.

Molecular Properties

Compound Name5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide
PubChem CID10517388
Molecular FormulaC11H10FNO3S2
Molecular Weight287.34 g/mol
Exact Mass287.01
IUPAC Name5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide
SMILESNS(=O)(=O)c1csc(C(O)c2cccc(F)c2)c1
InChIInChI=1S/C11H10FNO3S2/c12-8-3-1-2-7(4-8)11(14)10-5-9(6-17-10)18(13,15)16/h1-6,11,14H,(H2,13,15,16)
InChIKeyCGGWFDHGPBVLLM-UHFFFAOYSA-N
XLogP1.62
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[hydroxy-[4-(hydroxymethyl)phenyl]methyl]thiophene-3-sulfonamide
CID 10518258
(3-fluorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114978494
(3-fluorophenyl)-(5-methylthiophen-3-yl)methanol
CID 65099498
1-(3-fluorophenyl)ethanesulfonamide
CID 62085639
(4-bromothiophen-3-yl)-(3-fluorophenyl)methanol
CID 79595378
(2-fluoro-3-methylphenyl)-(3-fluorophenyl)methanol
CID 114978614
(3-fluorophenyl)-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanol
CID 114978572
(3,5-dibromophenyl)-(3-fluorophenyl)methanol
CID 107978141
(3-fluorophenyl)-[2-(4-methylsulfonylphenyl)phenyl]methanol
CID 10155201
3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
CID 43762132
3-(3-fluorophenyl)-2-hydroxypropane-1-sulfonamide
CID 115039399
(4-fluoro-3,5-dimethylphenyl)-(3-fluorophenyl)methanol
CID 65296831

Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide?
The IUPAC name of 5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide (CID 10517388) is 5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide.
What is the SMILES notation for 5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide?
The canonical SMILES for 5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide is NS(=O)(=O)c1csc(C(O)c2cccc(F)c2)c1.
What is the InChIKey of 5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide?
The InChIKey is CGGWFDHGPBVLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO3S2/c12-8-3-1-2-7(4-8)11(14)10-5-9(6-17-10)18(13,15)16/h1-6,11,14H,(H2,13,15,16).
What are the key properties of 5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide?
5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide has a molecular weight of 287.34 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluorophenyl)-hydroxymethyl]thiophene-3-sulfonamide is sourced from PubChem (CID 10517388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).