4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine

C12H18FNO2S — CID 64703577

IUPAC4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
SMILESCNC(C)CC(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H18FNO2S/c1-9(14-3)8-10(2)17(15,16)12-7-5-4-6-11(12)13/h4-7,9-10,14H,8H2,1-3H3
InChIKeyWAGYZSHVUONIFT-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.99
Rot. Bonds5

About 4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine

4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine (PubChem CID 64703577) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine.

Molecular Properties

Compound Name4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
PubChem CID64703577
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC Name4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine
SMILESCNC(C)CC(C)S(=O)(=O)c1ccccc1F
InChIInChI=1S/C12H18FNO2S/c1-9(14-3)8-10(2)17(15,16)12-7-5-4-6-11(12)13/h4-7,9-10,14H,8H2,1-3H3
InChIKeyWAGYZSHVUONIFT-UHFFFAOYSA-N
XLogP1.99
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine?
The IUPAC name of 4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine (CID 64703577) is 4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine.
What is the SMILES notation for 4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine?
The canonical SMILES for 4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine is CNC(C)CC(C)S(=O)(=O)c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine?
The InChIKey is WAGYZSHVUONIFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-9(14-3)8-10(2)17(15,16)12-7-5-4-6-11(12)13/h4-7,9-10,14H,8H2,1-3H3.
What are the key properties of 4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine?
4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine has a molecular weight of 259.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)sulfonyl-N-methylpentan-2-amine is sourced from PubChem (CID 64703577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).