N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide

C9H11FN2O4S2 — CID 103777911

IUPACN-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc(F)nc2)C1
InChIInChI=1S/C9H11FN2O4S2/c10-9-2-1-7(5-11-9)12-18(15,16)8-3-4-17(13,14)6-8/h1-2,5,8,12H,3-4,6H2
InChIKeySALPAXZFQGQMEL-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.15
Rot. Bonds3

About N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide

N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 103777911) has the molecular formula C9H11FN2O4S2 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
PubChem CID103777911
Molecular FormulaC9H11FN2O4S2
Molecular Weight294.33 g/mol
Exact Mass294.01
IUPAC NameN-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc(F)nc2)C1
InChIInChI=1S/C9H11FN2O4S2/c10-9-2-1-7(5-11-9)12-18(15,16)8-3-4-17(13,14)6-8/h1-2,5,8,12H,3-4,6H2
InChIKeySALPAXZFQGQMEL-UHFFFAOYSA-N
XLogP0.15
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide 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-(4-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 43827654
N-[3-[(1,1-dioxothiolan-3-yl)sulfonylamino]phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 43827652
N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide
CID 103098191
N-(3-hydroxyphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 3738067
4-[(1,1-dioxothiolan-3-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 43361376
N-[4-[(4-chlorophenyl)methoxy]phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 20995143
N-(4-chloropyrimidin-2-yl)-1,1-dioxothiolane-3-sulfonamide
CID 114052602
1,1-dioxo-N-(1,2,3,4-tetrahydroquinolin-7-yl)thiolane-3-sulfonamide
CID 63931452
(3R)-N-(2-methylphenyl)-1,1-dioxothiolane-3-sulfonamide
CID 40548256
N-(6-chloro-3-pyridinyl)cyclopropanesulfonamide
CID 103649273
4-[(1,1-dioxothian-4-yl)sulfonylamino]benzenecarbothioamide
CID 62086198
3-[(1,1-dioxothiolan-3-yl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443066

Frequently Asked Questions

What is the IUPAC name of N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide (CID 103777911) is N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)Nc2ccc(F)nc2)C1.
What is the InChIKey of N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is SALPAXZFQGQMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4S2/c10-9-2-1-7(5-11-9)12-18(15,16)8-3-4-17(13,14)6-8/h1-2,5,8,12H,3-4,6H2.
What are the key properties of N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide?
N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 294.33 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-fluoro-3-pyridinyl)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 103777911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).