5-amino-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide

C10H14ClFN2O2S — CID 43256901

IUPAC5-amino-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O2S/c1-10(2,3)14-17(15,16)8-5-6(13)4-7(11)9(8)12/h4-5,14H,13H2,1-3H3
InChIKeyHOUFXAMOOIXXEW-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.14
Rot. Bonds2

About 5-amino-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide

5-amino-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide (PubChem CID 43256901) has the molecular formula C10H14ClFN2O2S and a molecular weight of 280.75 g/mol. Its IUPAC name is 5-amino-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide
PubChem CID43256901
Molecular FormulaC10H14ClFN2O2S
Molecular Weight280.75 g/mol
Exact Mass280.04
IUPAC Name5-amino-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(N)cc(Cl)c1F
InChIInChI=1S/C10H14ClFN2O2S/c1-10(2,3)14-17(15,16)8-5-6(13)4-7(11)9(8)12/h4-5,14H,13H2,1-3H3
InChIKeyHOUFXAMOOIXXEW-UHFFFAOYSA-N
XLogP2.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.75
LogP ≤ 52.14
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-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of 5-amino-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide (CID 43256901) is 5-amino-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-amino-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-amino-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cc(N)cc(Cl)c1F.
What is the InChIKey of 5-amino-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide?
The InChIKey is HOUFXAMOOIXXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O2S/c1-10(2,3)14-17(15,16)8-5-6(13)4-7(11)9(8)12/h4-5,14H,13H2,1-3H3.
What are the key properties of 5-amino-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide?
5-amino-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide has a molecular weight of 280.75 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-tert-butyl-3-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43256901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).