3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide

C11H14ClFN2O4S2 — CID 103050695

IUPAC3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NC2CCS(=O)(=O)CC2)c1F
InChIInChI=1S/C11H14ClFN2O4S2/c12-7-5-9(14)11(13)10(6-7)21(18,19)15-8-1-3-20(16,17)4-2-8/h5-6,8,15H,1-4,14H2
InChIKeySRDDGCUNWPZBKU-UHFFFAOYSA-N
MW356.83 g/mol
LogP0.92
Rot. Bonds3

About 3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide

3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide (PubChem CID 103050695) has the molecular formula C11H14ClFN2O4S2 and a molecular weight of 356.83 g/mol. Its IUPAC name is 3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide
PubChem CID103050695
Molecular FormulaC11H14ClFN2O4S2
Molecular Weight356.83 g/mol
Exact Mass356.01
IUPAC Name3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide
SMILESNc1cc(Cl)cc(S(=O)(=O)NC2CCS(=O)(=O)CC2)c1F
InChIInChI=1S/C11H14ClFN2O4S2/c12-7-5-9(14)11(13)10(6-7)21(18,19)15-8-1-3-20(16,17)4-2-8/h5-6,8,15H,1-4,14H2
InChIKeySRDDGCUNWPZBKU-UHFFFAOYSA-N
XLogP0.92
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 50.92
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-chloro-2-fluoro-N-(3-hydroxycyclobutyl)benzenesulfonamide
CID 103051713
3-amino-5-chloro-2-fluoro-N-(6-oxopiperidin-3-yl)benzenesulfonamide
CID 103051474
5-amino-4-bromo-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide
CID 116529819
3-amino-5-chloro-2-fluoro-N-[2-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 106358771
3-amino-2-bromo-5-chloro-N-(1,1-dioxothian-3-yl)benzenesulfonamide
CID 63922300
3-amino-5-chloro-N-(2,6-dioxopiperidin-3-yl)-2-fluorobenzenesulfonamide
CID 103051710
3-amino-5-chloro-2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 103051221
5-amino-4-bromo-N-(1,1-dioxothian-4-yl)-2-methylbenzenesulfonamide
CID 114625209
3-amino-5-chloro-2-fluoro-N-(3-hydroxy-2,2-dimethylcyclobutyl)benzenesulfonamide
CID 103052244
3-amino-5-chloro-2-methyl-N-(4-methylcyclohexyl)benzenesulfonamide
CID 104963329
3-amino-5-chloro-N-(1-cyclopropylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 103051535
3-amino-5-chloro-N-(2-cyclohexylethyl)-2-fluorobenzenesulfonamide
CID 103050733

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide (CID 103050695) is 3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide is Nc1cc(Cl)cc(S(=O)(=O)NC2CCS(=O)(=O)CC2)c1F.
What is the InChIKey of 3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide?
The InChIKey is SRDDGCUNWPZBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O4S2/c12-7-5-9(14)11(13)10(6-7)21(18,19)15-8-1-3-20(16,17)4-2-8/h5-6,8,15H,1-4,14H2.
What are the key properties of 3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide?
3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide has a molecular weight of 356.83 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-N-(1,1-dioxothian-4-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103050695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).