N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine

C10H14FNO2S — CID 117036346

IUPACN-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine
SMILESCCNCS(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C10H14FNO2S/c1-3-12-7-15(13,14)9-4-5-10(11)8(2)6-9/h4-6,12H,3,7H2,1-2H3
InChIKeyGMPBOLWUAJMULJ-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.47
Rot. Bonds4

About N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine

N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine (PubChem CID 117036346) has the molecular formula C10H14FNO2S and a molecular weight of 231.29 g/mol. Its IUPAC name is N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine
PubChem CID117036346
Molecular FormulaC10H14FNO2S
Molecular Weight231.29 g/mol
Exact Mass231.07
IUPAC NameN-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine
SMILESCCNCS(=O)(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C10H14FNO2S/c1-3-12-7-15(13,14)9-4-5-10(11)8(2)6-9/h4-6,12H,3,7H2,1-2H3
InChIKeyGMPBOLWUAJMULJ-UHFFFAOYSA-N
XLogP1.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-methoxy-3-methylphenyl)sulfonylmethyl]ethanamine
CID 117036349
(4-fluoro-3-methylphenyl)sulfonylmethanol
CID 117036683
ethyl-(4-fluoro-3-methylphenyl)-imino-oxo-λ6-sulfane
CID 135226970
N-(1,3-benzodioxol-5-ylsulfonylmethyl)ethanamine
CID 117036355
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824
N,N-diethyl-4-[[(4-fluoro-3-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 119121752
N-[4-(diethylsulfamoyl)phenyl]-4-fluoro-3-methylbenzenesulfonamide
CID 100694437
N-tert-butyl-4-fluoro-3-methylbenzenesulfonamide
CID 9267364
N-(2,6-dimethylphenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 56737871
N-[(4-ethoxyphenyl)methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 95970982
N-[3-(aminomethyl)pentan-3-yl]-4-fluoro-3-methylbenzenesulfonamide;hydrochloride
CID 119981313
N-(2-cyanopropyl)-4-fluoro-3-methylbenzenesulfonamide
CID 71983613

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine?
The IUPAC name of N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine (CID 117036346) is N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine is CCNCS(=O)(=O)c1ccc(F)c(C)c1.
What is the InChIKey of N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine?
The InChIKey is GMPBOLWUAJMULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2S/c1-3-12-7-15(13,14)9-4-5-10(11)8(2)6-9/h4-6,12H,3,7H2,1-2H3.
What are the key properties of N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine?
N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine has a molecular weight of 231.29 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-3-methylphenyl)sulfonylmethyl]ethanamine is sourced from PubChem (CID 117036346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).