5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide

C11H16ClFN2O2S — CID 61110953

IUPAC5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C11H16ClFN2O2S/c1-3-7(4-2)15-18(16,17)11-6-10(14)9(13)5-8(11)12/h5-7,15H,3-4,14H2,1-2H3
InChIKeyARKQHCLSVLUHDA-UHFFFAOYSA-N
MW294.78 g/mol
LogP2.53
Rot. Bonds5

About 5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide

5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide (PubChem CID 61110953) has the molecular formula C11H16ClFN2O2S and a molecular weight of 294.78 g/mol. Its IUPAC name is 5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide
PubChem CID61110953
Molecular FormulaC11H16ClFN2O2S
Molecular Weight294.78 g/mol
Exact Mass294.06
IUPAC Name5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide
SMILESCCC(CC)NS(=O)(=O)c1cc(N)c(F)cc1Cl
InChIInChI=1S/C11H16ClFN2O2S/c1-3-7(4-2)15-18(16,17)11-6-10(14)9(13)5-8(11)12/h5-7,15H,3-4,14H2,1-2H3
InChIKeyARKQHCLSVLUHDA-UHFFFAOYSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 52.53
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 5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide (CID 61110953) is 5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide is CCC(CC)NS(=O)(=O)c1cc(N)c(F)cc1Cl.
What is the InChIKey of 5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide?
The InChIKey is ARKQHCLSVLUHDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O2S/c1-3-7(4-2)15-18(16,17)11-6-10(14)9(13)5-8(11)12/h5-7,15H,3-4,14H2,1-2H3.
What are the key properties of 5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide?
5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide has a molecular weight of 294.78 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-4-fluoro-N-pentan-3-ylbenzenesulfonamide is sourced from PubChem (CID 61110953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).