3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide

C10H13FN2O4S2 — CID 63321949

IUPAC3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C10H13FN2O4S2/c11-7-3-8(12)5-10(4-7)19(16,17)13-9-1-2-18(14,15)6-9/h3-5,9,13H,1-2,6,12H2
InChIKeySUXYUUNVFBHURU-UHFFFAOYSA-N
MW308.36 g/mol
LogP-0.13
Rot. Bonds3

About 3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide

3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide (PubChem CID 63321949) has the molecular formula C10H13FN2O4S2 and a molecular weight of 308.36 g/mol. Its IUPAC name is 3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide
PubChem CID63321949
Molecular FormulaC10H13FN2O4S2
Molecular Weight308.36 g/mol
Exact Mass308.03
IUPAC Name3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1
InChIInChI=1S/C10H13FN2O4S2/c11-7-3-8(12)5-10(4-7)19(16,17)13-9-1-2-18(14,15)6-9/h3-5,9,13H,1-2,6,12H2
InChIKeySUXYUUNVFBHURU-UHFFFAOYSA-N
XLogP-0.13
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.36
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-5-fluoro-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 55204348
N-(1,1-dioxothiolan-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326575
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-5-fluorobenzenesulfonamide
CID 107843583
N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943
3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluoro-N-methylbenzenesulfonamide
CID 63321663
N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide
CID 110757609
N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106059838
N-cyclopropyl-3,5-difluorobenzenesulfonamide
CID 60648847
N-(3,5-difluorophenyl)-3-[(1,1-dioxothiolan-3-yl)sulfamoyl]benzamide
CID 24598177
2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
CID 43258077
3-amino-N-(1,1-dioxothian-3-yl)-4,5-dimethylbenzenesulfonamide
CID 63922894
N-(1,1-dioxothiolan-3-yl)-2,4,6-trimethylbenzenesulfonamide
CID 45154252

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide (CID 63321949) is 3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide is Nc1cc(F)cc(S(=O)(=O)NC2CCS(=O)(=O)C2)c1.
What is the InChIKey of 3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide?
The InChIKey is SUXYUUNVFBHURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O4S2/c11-7-3-8(12)5-10(4-7)19(16,17)13-9-1-2-18(14,15)6-9/h3-5,9,13H,1-2,6,12H2.
What are the key properties of 3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide?
3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide has a molecular weight of 308.36 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 63321949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).