[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol

C14H14FNO3S2 — CID 102919676

IUPAC[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol
SMILESO=S(=O)(c1cc(F)ccc1CO)N1CCc2sccc2C1
InChIInChI=1S/C14H14FNO3S2/c15-12-2-1-11(9-17)14(7-12)21(18,19)16-5-3-13-10(8-16)4-6-20-13/h1-2,4,6-7,17H,3,5,8-9H2
InChIKeyJULKNCOZNSUOLV-UHFFFAOYSA-N
MW327.40 g/mol
LogP2.13
Rot. Bonds3

About [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol

[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol (PubChem CID 102919676) has the molecular formula C14H14FNO3S2 and a molecular weight of 327.40 g/mol. Its IUPAC name is [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol.

Molecular Properties

Compound Name[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol
PubChem CID102919676
Molecular FormulaC14H14FNO3S2
Molecular Weight327.40 g/mol
Exact Mass327.04
IUPAC Name[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol
SMILESO=S(=O)(c1cc(F)ccc1CO)N1CCc2sccc2C1
InChIInChI=1S/C14H14FNO3S2/c15-12-2-1-11(9-17)14(7-12)21(18,19)16-5-3-13-10(8-16)4-6-20-13/h1-2,4,6-7,17H,3,5,8-9H2
InChIKeyJULKNCOZNSUOLV-UHFFFAOYSA-N
XLogP2.13
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol?
The IUPAC name of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol (CID 102919676) is [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol.
What is the SMILES notation for [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol?
The canonical SMILES for [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol is O=S(=O)(c1cc(F)ccc1CO)N1CCc2sccc2C1.
What is the InChIKey of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol?
The InChIKey is JULKNCOZNSUOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S2/c15-12-2-1-11(9-17)14(7-12)21(18,19)16-5-3-13-10(8-16)4-6-20-13/h1-2,4,6-7,17H,3,5,8-9H2.
What are the key properties of [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol?
[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol has a molecular weight of 327.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-4-fluorophenyl]methanol is sourced from PubChem (CID 102919676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).