N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide

C10H15FN2O2S — CID 165485847

IUPACN-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc(CN)cc1F
InChIInChI=1S/C10H15FN2O2S/c1-3-16(14,15)13(2)10-5-4-8(7-12)6-9(10)11/h4-6H,3,7,12H2,1-2H3
InChIKeyRTSJLCPZWOWEST-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.07
Rot. Bonds4

About N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide

N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide (PubChem CID 165485847) has the molecular formula C10H15FN2O2S and a molecular weight of 246.31 g/mol. Its IUPAC name is N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide
PubChem CID165485847
Molecular FormulaC10H15FN2O2S
Molecular Weight246.31 g/mol
Exact Mass246.08
IUPAC NameN-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide
SMILESCCS(=O)(=O)N(C)c1ccc(CN)cc1F
InChIInChI=1S/C10H15FN2O2S/c1-3-16(14,15)13(2)10-5-4-8(7-12)6-9(10)11/h4-6H,3,7,12H2,1-2H3
InChIKeyRTSJLCPZWOWEST-UHFFFAOYSA-N
XLogP1.07
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide?
The IUPAC name of N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide (CID 165485847) is N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide.
What is the SMILES notation for N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide?
The canonical SMILES for N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide is CCS(=O)(=O)N(C)c1ccc(CN)cc1F.
What is the InChIKey of N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide?
The InChIKey is RTSJLCPZWOWEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2S/c1-3-16(14,15)13(2)10-5-4-8(7-12)6-9(10)11/h4-6H,3,7,12H2,1-2H3.
What are the key properties of N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide?
N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide has a molecular weight of 246.31 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-2-fluorophenyl]-N-methylethanesulfonamide is sourced from PubChem (CID 165485847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).