5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide

C7H8ClFN2O2S — CID 43257015

IUPAC5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C7H8ClFN2O2S/c1-11-14(12,13)6-3-4(10)2-5(8)7(6)9/h2-3,11H,10H2,1H3
InChIKeyVXFLRLIORMSOFO-UHFFFAOYSA-N
MW238.67 g/mol
LogP0.97
Rot. Bonds2

About 5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide

5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 43257015) has the molecular formula C7H8ClFN2O2S and a molecular weight of 238.67 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide
PubChem CID43257015
Molecular FormulaC7H8ClFN2O2S
Molecular Weight238.67 g/mol
Exact Mass238.00
IUPAC Name5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C7H8ClFN2O2S/c1-11-14(12,13)6-3-4(10)2-5(8)7(6)9/h2-3,11H,10H2,1H3
InChIKeyVXFLRLIORMSOFO-UHFFFAOYSA-N
XLogP0.97
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide (CID 43257015) is 5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is VXFLRLIORMSOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClFN2O2S/c1-11-14(12,13)6-3-4(10)2-5(8)7(6)9/h2-3,11H,10H2,1H3.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 238.67 g/mol, XLogP of 0.97, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-chloro-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 43257015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).