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

C11H16ClFN2O2S — CID 43258015

IUPAC5-amino-N-butyl-3-chloro-2-fluoro-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C11H16ClFN2O2S/c1-3-4-5-15(2)18(16,17)10-7-8(14)6-9(12)11(10)13/h6-7H,3-5,14H2,1-2H3
InChIKeyGFKHILNHBAEUEJ-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.48
Rot. Bonds5

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

5-amino-N-butyl-3-chloro-2-fluoro-N-methylbenzenesulfonamide (PubChem CID 43258015) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is 5-amino-N-butyl-3-chloro-2-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-butyl-3-chloro-2-fluoro-N-methylbenzenesulfonamide
PubChem CID43258015
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC Name5-amino-N-butyl-3-chloro-2-fluoro-N-methylbenzenesulfonamide
SMILESCCCCN(C)S(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C11H16ClFN2O2S/c1-3-4-5-15(2)18(16,17)10-7-8(14)6-9(12)11(10)13/h6-7H,3-5,14H2,1-2H3
InChIKeyGFKHILNHBAEUEJ-UHFFFAOYSA-N
XLogP2.48
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.48
H-Bond Donors ≤ 51
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 5-amino-N-butyl-3-chloro-2-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-butyl-3-chloro-2-fluoro-N-methylbenzenesulfonamide (CID 43258015) is 5-amino-N-butyl-3-chloro-2-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-butyl-3-chloro-2-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-butyl-3-chloro-2-fluoro-N-methylbenzenesulfonamide is CCCCN(C)S(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-N-butyl-3-chloro-2-fluoro-N-methylbenzenesulfonamide?
The InChIKey is GFKHILNHBAEUEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O2S/c1-3-4-5-15(2)18(16,17)10-7-8(14)6-9(12)11(10)13/h6-7H,3-5,14H2,1-2H3.
What are the key properties of 5-amino-N-butyl-3-chloro-2-fluoro-N-methylbenzenesulfonamide?
5-amino-N-butyl-3-chloro-2-fluoro-N-methylbenzenesulfonamide has a molecular weight of 294.78 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-3-chloro-2-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 43258015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).