5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide

C11H14F2N2O4S2 — CID 65020589

IUPAC5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cc(N)cc(F)c2F)CCS(=O)(=O)C1
InChIInChI=1S/C11H14F2N2O4S2/c1-11(2-3-20(16,17)6-11)15-21(18,19)9-5-7(14)4-8(12)10(9)13/h4-5,15H,2-3,6,14H2,1H3
InChIKeyOHSWOJQBNKTZLA-UHFFFAOYSA-N
MW340.37 g/mol
LogP0.40
Rot. Bonds3

About 5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide

5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide (PubChem CID 65020589) has the molecular formula C11H14F2N2O4S2 and a molecular weight of 340.37 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
PubChem CID65020589
Molecular FormulaC11H14F2N2O4S2
Molecular Weight340.37 g/mol
Exact Mass340.04
IUPAC Name5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESCC1(NS(=O)(=O)c2cc(N)cc(F)c2F)CCS(=O)(=O)C1
InChIInChI=1S/C11H14F2N2O4S2/c1-11(2-3-20(16,17)6-11)15-21(18,19)9-5-7(14)4-8(12)10(9)13/h4-5,15H,2-3,6,14H2,1H3
InChIKeyOHSWOJQBNKTZLA-UHFFFAOYSA-N
XLogP0.40
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 50.40
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-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 103051221
3-amino-2-bromo-5-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 62955675
5-bromo-2-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 60660558
2-chloro-N-(3-methyl-1,1-dioxothiolan-3-yl)-5-methylsulfonylthiophene-3-sulfonamide
CID 75440460
5-amino-2,3-difluoro-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 65023136
5-amino-2-fluoro-N-(1-methylcyclobutyl)benzenesulfonamide
CID 113485258
3,4-difluoro-5-[(1-methylcyclopentyl)sulfamoyl]benzoic acid
CID 105113952
5,6-dichloro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide
CID 64608959
4-ethyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 51642152
2,6-dichloro-1-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,4-diamine
CID 106890235
4-fluoro-5-methyl-1-N-(3-methyl-1,1-dioxothiolan-3-yl)benzene-1,2-diamine
CID 103590227
N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-sulfonamide
CID 47331328

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide (CID 65020589) is 5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide is CC1(NS(=O)(=O)c2cc(N)cc(F)c2F)CCS(=O)(=O)C1.
What is the InChIKey of 5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide?
The InChIKey is OHSWOJQBNKTZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O4S2/c1-11(2-3-20(16,17)6-11)15-21(18,19)9-5-7(14)4-8(12)10(9)13/h4-5,15H,2-3,6,14H2,1H3.
What are the key properties of 5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide?
5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide has a molecular weight of 340.37 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 65020589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).