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

C9H12ClFN2O2S — CID 103050149

IUPAC3-amino-5-chloro-2-fluoro-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C9H12ClFN2O2S/c1-2-3-13-16(14,15)8-5-6(10)4-7(12)9(8)11/h4-5,13H,2-3,12H2,1H3
InChIKeyLIEXNWWLXKOIHF-UHFFFAOYSA-N
MW266.72 g/mol
LogP1.75
Rot. Bonds4

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

3-amino-5-chloro-2-fluoro-N-propylbenzenesulfonamide (PubChem CID 103050149) has the molecular formula C9H12ClFN2O2S and a molecular weight of 266.72 g/mol. Its IUPAC name is 3-amino-5-chloro-2-fluoro-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-chloro-2-fluoro-N-propylbenzenesulfonamide
PubChem CID103050149
Molecular FormulaC9H12ClFN2O2S
Molecular Weight266.72 g/mol
Exact Mass266.03
IUPAC Name3-amino-5-chloro-2-fluoro-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C9H12ClFN2O2S/c1-2-3-13-16(14,15)8-5-6(10)4-7(12)9(8)11/h4-5,13H,2-3,12H2,1H3
InChIKeyLIEXNWWLXKOIHF-UHFFFAOYSA-N
XLogP1.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-chloro-2-fluoro-N-propylbenzenesulfonamide?
The IUPAC name of 3-amino-5-chloro-2-fluoro-N-propylbenzenesulfonamide (CID 103050149) is 3-amino-5-chloro-2-fluoro-N-propylbenzenesulfonamide.
What is the SMILES notation for 3-amino-5-chloro-2-fluoro-N-propylbenzenesulfonamide?
The canonical SMILES for 3-amino-5-chloro-2-fluoro-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-amino-5-chloro-2-fluoro-N-propylbenzenesulfonamide?
The InChIKey is LIEXNWWLXKOIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClFN2O2S/c1-2-3-13-16(14,15)8-5-6(10)4-7(12)9(8)11/h4-5,13H,2-3,12H2,1H3.
What are the key properties of 3-amino-5-chloro-2-fluoro-N-propylbenzenesulfonamide?
3-amino-5-chloro-2-fluoro-N-propylbenzenesulfonamide has a molecular weight of 266.72 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-chloro-2-fluoro-N-propylbenzenesulfonamide is sourced from PubChem (CID 103050149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).