2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide

C12H14FNO3S — CID 104920582

IUPAC2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide
SMILESO=C(NC1CCS(=O)CC1)c1c(O)cccc1F
InChIInChI=1S/C12H14FNO3S/c13-9-2-1-3-10(15)11(9)12(16)14-8-4-6-18(17)7-5-8/h1-3,8,15H,4-7H2,(H,14,16)
InChIKeyDGPGYQALAZHKIZ-UHFFFAOYSA-N
MW271.31 g/mol
LogP1.17
Rot. Bonds2

About 2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide

2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide (PubChem CID 104920582) has the molecular formula C12H14FNO3S and a molecular weight of 271.31 g/mol. Its IUPAC name is 2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide.

Molecular Properties

Compound Name2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide
PubChem CID104920582
Molecular FormulaC12H14FNO3S
Molecular Weight271.31 g/mol
Exact Mass271.07
IUPAC Name2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide
SMILESO=C(NC1CCS(=O)CC1)c1c(O)cccc1F
InChIInChI=1S/C12H14FNO3S/c13-9-2-1-3-10(15)11(9)12(16)14-8-4-6-18(17)7-5-8/h1-3,8,15H,4-7H2,(H,14,16)
InChIKeyDGPGYQALAZHKIZ-UHFFFAOYSA-N
XLogP1.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclooctyl-2-fluoro-6-hydroxybenzamide
CID 107015091
methyl 4-[(2-fluoro-6-hydroxybenzoyl)amino]cyclohexane-1-carboxylate
CID 104917472
2-fluoro-6-hydroxy-N-[4-(propylamino)cyclohexyl]benzamide
CID 107014639
3-[(2-fluoro-6-hydroxybenzoyl)amino]cyclopentane-1-carboxylic acid
CID 107013675
N-(1,4-dioxaspiro[4.5]decan-8-yl)-2-fluoro-6-hydroxybenzamide
CID 104916913
4-bromo-2,6-difluoro-N-(1-oxothian-4-yl)benzamide
CID 104580801
2-fluoro-6-hydroxy-N-(3-methylcyclohexyl)benzamide
CID 104916812
2-fluoro-6-hydroxy-N-[(3S)-piperidin-3-yl]benzamide
CID 107016089
2-fluoro-6-hydroxy-N-(2-hydroxycyclohexyl)benzamide
CID 104920401
2-fluoro-6-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 104917016
2,6-difluoro-N-piperidin-4-ylbenzamide;hydrochloride
CID 119385702
5-chloro-2-fluoro-N-(1-oxothian-4-yl)benzamide
CID 113347776

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide?
The IUPAC name of 2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide (CID 104920582) is 2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide.
What is the SMILES notation for 2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide?
The canonical SMILES for 2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide is O=C(NC1CCS(=O)CC1)c1c(O)cccc1F.
What is the InChIKey of 2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide?
The InChIKey is DGPGYQALAZHKIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3S/c13-9-2-1-3-10(15)11(9)12(16)14-8-4-6-18(17)7-5-8/h1-3,8,15H,4-7H2,(H,14,16).
What are the key properties of 2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide?
2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide has a molecular weight of 271.31 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-hydroxy-N-(1-oxothian-4-yl)benzamide is sourced from PubChem (CID 104920582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).