5-amino-3-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide

C10H14ClFN2O2S — CID 43256984

IUPAC5-amino-3-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O2S/c1-6(2)5-14-17(15,16)9-4-7(13)3-8(11)10(9)12/h3-4,6,14H,5,13H2,1-2H3
InChIKeyOAHDZFAVIHRQDJ-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.00
Rot. Bonds4

About 5-amino-3-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide

5-amino-3-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 43256984) has the molecular formula C10H14ClFN2O2S and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-amino-3-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide
PubChem CID43256984
Molecular FormulaC10H14ClFN2O2S
Molecular Weight280.75 g/mol
Exact Mass280.04
IUPAC Name5-amino-3-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O2S/c1-6(2)5-14-17(15,16)9-4-7(13)3-8(11)10(9)12/h3-4,6,14H,5,13H2,1-2H3
InChIKeyOAHDZFAVIHRQDJ-UHFFFAOYSA-N
XLogP2.00
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.00
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-3-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-amino-3-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide (CID 43256984) is 5-amino-3-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-3-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-amino-3-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-3-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is OAHDZFAVIHRQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O2S/c1-6(2)5-14-17(15,16)9-4-7(13)3-8(11)10(9)12/h3-4,6,14H,5,13H2,1-2H3.
What are the key properties of 5-amino-3-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide?
5-amino-3-chloro-2-fluoro-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 280.75 g/mol, XLogP of 2.00, 4 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-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 43256984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).