2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline

C9H11FN2O4S2 — CID 89149310

IUPAC2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline
SMILESNc1c(F)cccc1S(=O)(=O)N1CCS(=O)(=O)C1
InChIInChI=1S/C9H11FN2O4S2/c10-7-2-1-3-8(9(7)11)18(15,16)12-4-5-17(13,14)6-12/h1-3H,4-6,11H2
InChIKeyXYSRDGRQOFKIGI-UHFFFAOYSA-N
MW294.33 g/mol
LogP-0.22
Rot. Bonds2

About 2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline

2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline (PubChem CID 89149310) has the molecular formula C9H11FN2O4S2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline.

Molecular Properties

Compound Name2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline
PubChem CID89149310
Molecular FormulaC9H11FN2O4S2
Molecular Weight294.33 g/mol
Exact Mass294.01
IUPAC Name2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline
SMILESNc1c(F)cccc1S(=O)(=O)N1CCS(=O)(=O)C1
InChIInChI=1S/C9H11FN2O4S2/c10-7-2-1-3-8(9(7)11)18(15,16)12-4-5-17(13,14)6-12/h1-3H,4-6,11H2
InChIKeyXYSRDGRQOFKIGI-UHFFFAOYSA-N
XLogP-0.22
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-6-fluoroaniline
CID 115558804
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)sulfonyl]-6-fluoroaniline
CID 107452666
1-(2-amino-3-fluorophenyl)sulfonyl-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317548
4-(4-bromo-2-fluorophenyl)sulfonyl-1,4-thiazinane 1,1-dioxide
CID 116528119
2-fluoro-6-(3-methylsulfonylthiomorpholin-4-yl)sulfonylaniline
CID 66381991
4-(2-amino-3-fluorophenyl)sulfonylmorpholine-3-carboxamide
CID 83094650
[2-fluoro-6-[(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]methanamine
CID 102883116
5-[4-[2-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]phenyl]-2-fluorophenyl]-1,3,4-thiadiazol-2-amine
CID 90313609
4-bromo-3-[(1,1-dioxo-1,4-thiazinan-4-yl)sulfonyl]aniline
CID 65206857
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine
CID 119974697
1-[1-(2,3-difluorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119974696
2-amino-3-fluoro-N-[(1-hydroxycycloheptyl)methyl]benzenesulfonamide
CID 65123084

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline?
The IUPAC name of 2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline (CID 89149310) is 2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline.
What is the SMILES notation for 2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline?
The canonical SMILES for 2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline is Nc1c(F)cccc1S(=O)(=O)N1CCS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline?
The InChIKey is XYSRDGRQOFKIGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2O4S2/c10-7-2-1-3-8(9(7)11)18(15,16)12-4-5-17(13,14)6-12/h1-3H,4-6,11H2.
What are the key properties of 2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline?
2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline has a molecular weight of 294.33 g/mol, XLogP of -0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-1,3-thiazolidin-3-yl)sulfonyl]-6-fluoroaniline is sourced from PubChem (CID 89149310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).