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

C10H14ClFN2O2S — CID 103050154

IUPAC3-amino-N-tert-butyl-5-chloro-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C10H14ClFN2O2S/c1-10(2,3)14-17(15,16)8-5-6(11)4-7(13)9(8)12/h4-5,14H,13H2,1-3H3
InChIKeyMKKPKIZFZBRLOG-UHFFFAOYSA-N
MW280.75 g/mol
LogP2.14
Rot. Bonds2

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

3-amino-N-tert-butyl-5-chloro-2-fluorobenzenesulfonamide (PubChem CID 103050154) has the molecular formula C10H14ClFN2O2S and a molecular weight of 280.75 g/mol. Its IUPAC name is 3-amino-N-tert-butyl-5-chloro-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-tert-butyl-5-chloro-2-fluorobenzenesulfonamide
PubChem CID103050154
Molecular FormulaC10H14ClFN2O2S
Molecular Weight280.75 g/mol
Exact Mass280.04
IUPAC Name3-amino-N-tert-butyl-5-chloro-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(Cl)cc(N)c1F
InChIInChI=1S/C10H14ClFN2O2S/c1-10(2,3)14-17(15,16)8-5-6(11)4-7(13)9(8)12/h4-5,14H,13H2,1-3H3
InChIKeyMKKPKIZFZBRLOG-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 3-amino-N-tert-butyl-5-chloro-2-fluorobenzenesulfonamide?
The IUPAC name of 3-amino-N-tert-butyl-5-chloro-2-fluorobenzenesulfonamide (CID 103050154) is 3-amino-N-tert-butyl-5-chloro-2-fluorobenzenesulfonamide.
What is the SMILES notation for 3-amino-N-tert-butyl-5-chloro-2-fluorobenzenesulfonamide?
The canonical SMILES for 3-amino-N-tert-butyl-5-chloro-2-fluorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cc(Cl)cc(N)c1F.
What is the InChIKey of 3-amino-N-tert-butyl-5-chloro-2-fluorobenzenesulfonamide?
The InChIKey is MKKPKIZFZBRLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O2S/c1-10(2,3)14-17(15,16)8-5-6(11)4-7(13)9(8)12/h4-5,14H,13H2,1-3H3.
What are the key properties of 3-amino-N-tert-butyl-5-chloro-2-fluorobenzenesulfonamide?
3-amino-N-tert-butyl-5-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 3-amino-N-tert-butyl-5-chloro-2-fluorobenzenesulfonamide is sourced from PubChem (CID 103050154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).