5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide

C11H14ClFN2O4S2 — CID 43648503

IUPAC5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O4S2/c1-15(8-2-3-20(16,17)6-8)21(18,19)10-5-7(14)4-9(12)11(10)13/h4-5,8H,2-3,6,14H2,1H3
InChIKeyFEGAZJNBPNNHRD-UHFFFAOYSA-N
MW356.83 g/mol
LogP0.87
Rot. Bonds3

About 5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide

5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 43648503) has the molecular formula C11H14ClFN2O4S2 and a molecular weight of 356.83 g/mol. Its IUPAC name is 5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide
PubChem CID43648503
Molecular FormulaC11H14ClFN2O4S2
Molecular Weight356.83 g/mol
Exact Mass356.01
IUPAC Name5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C11H14ClFN2O4S2/c1-15(8-2-3-20(16,17)6-8)21(18,19)10-5-7(14)4-9(12)11(10)13/h4-5,8H,2-3,6,14H2,1H3
InChIKeyFEGAZJNBPNNHRD-UHFFFAOYSA-N
XLogP0.87
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.83
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide (CID 43648503) is 5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide is CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is FEGAZJNBPNNHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O4S2/c1-15(8-2-3-20(16,17)6-8)21(18,19)10-5-7(14)4-9(12)11(10)13/h4-5,8H,2-3,6,14H2,1H3.
What are the key properties of 5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide?
5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 356.83 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-N-(1,1-dioxothiolan-3-yl)-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 43648503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).