4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol

C11H14FNO3S — CID 64794825

IUPAC4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol
SMILESO=S1(=O)CCCC(Nc2ccc(O)c(F)c2)C1
InChIInChI=1S/C11H14FNO3S/c12-10-6-8(3-4-11(10)14)13-9-2-1-5-17(15,16)7-9/h3-4,6,9,13-14H,1-2,5,7H2
InChIKeyGHYFPNFACZCCGN-UHFFFAOYSA-N
MW259.30 g/mol
LogP1.52
Rot. Bonds2

About 4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol

4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol (PubChem CID 64794825) has the molecular formula C11H14FNO3S and a molecular weight of 259.30 g/mol. Its IUPAC name is 4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol.

Molecular Properties

Compound Name4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol
PubChem CID64794825
Molecular FormulaC11H14FNO3S
Molecular Weight259.30 g/mol
Exact Mass259.07
IUPAC Name4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol
SMILESO=S1(=O)CCCC(Nc2ccc(O)c(F)c2)C1
InChIInChI=1S/C11H14FNO3S/c12-10-6-8(3-4-11(10)14)13-9-2-1-5-17(15,16)7-9/h3-4,6,9,13-14H,1-2,5,7H2
InChIKeyGHYFPNFACZCCGN-UHFFFAOYSA-N
XLogP1.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.30
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol 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

5-[(1,1-dioxothian-3-yl)amino]-2-fluorobenzoic acid
CID 63922414
N-(4-fluorophenyl)-1,1-dioxothian-3-amine
CID 63910257
5-[(1,1-dioxothian-3-yl)amino]-2-fluorobenzonitrile
CID 63923237
N-[4-methyl-3-(trifluoromethyl)phenyl]-1,1-dioxothian-3-amine
CID 63924016
N-(1,1-dioxothian-3-yl)quinoxalin-6-amine
CID 63923027
4-[(1,1-dioxothian-3-yl)amino]-2-methylbenzoic acid
CID 81282203
2-amino-5-[(1,1-dioxothian-3-yl)amino]benzamide
CID 63924747
4-[(1,1-dioxothian-3-yl)amino]benzenesulfonamide
CID 63908905
1-[2-amino-4-[(1,1-dioxothian-3-yl)amino]phenyl]ethanone
CID 104528875
1,1-dioxo-N-[4-(trifluoromethoxy)phenyl]thian-3-amine
CID 63909870
N-(1,1-dioxothian-3-yl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 63911451
4-[(1,1-dioxothian-3-yl)amino]pyridine-2-carboxamide
CID 63923173

Frequently Asked Questions

What is the IUPAC name of 4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol?
The IUPAC name of 4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol (CID 64794825) is 4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol.
What is the SMILES notation for 4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol?
The canonical SMILES for 4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol is O=S1(=O)CCCC(Nc2ccc(O)c(F)c2)C1.
What is the InChIKey of 4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol?
The InChIKey is GHYFPNFACZCCGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO3S/c12-10-6-8(3-4-11(10)14)13-9-2-1-5-17(15,16)7-9/h3-4,6,9,13-14H,1-2,5,7H2.
What are the key properties of 4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol?
4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol has a molecular weight of 259.30 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,1-dioxothian-3-yl)amino]-2-fluorophenol is sourced from PubChem (CID 64794825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).