N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide

C12H19FN2O2S — CID 54987311

IUPACN-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(CC(C)CN)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H19FN2O2S/c1-3-15(9-10(2)8-14)18(16,17)12-7-5-4-6-11(12)13/h4-7,10H,3,8-9,14H2,1-2H3
InChIKeyJOUUWVRFZLIGJV-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.43
Rot. Bonds6

About N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide

N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide (PubChem CID 54987311) has the molecular formula C12H19FN2O2S and a molecular weight of 274.36 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide
PubChem CID54987311
Molecular FormulaC12H19FN2O2S
Molecular Weight274.36 g/mol
Exact Mass274.12
IUPAC NameN-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide
SMILESCCN(CC(C)CN)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H19FN2O2S/c1-3-15(9-10(2)8-14)18(16,17)12-7-5-4-6-11(12)13/h4-7,10H,3,8-9,14H2,1-2H3
InChIKeyJOUUWVRFZLIGJV-UHFFFAOYSA-N
XLogP1.43
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide (CID 54987311) is N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide is CCN(CC(C)CN)S(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide?
The InChIKey is JOUUWVRFZLIGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O2S/c1-3-15(9-10(2)8-14)18(16,17)12-7-5-4-6-11(12)13/h4-7,10H,3,8-9,14H2,1-2H3.
What are the key properties of N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide?
N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide has a molecular weight of 274.36 g/mol, XLogP of 1.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-N-ethyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 54987311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).