3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide

C15H16F2N2O2S — CID 166343003

IUPAC3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(NC(C)c2ccc(F)cc2)c1F
InChIInChI=1S/C15H16F2N2O2S/c1-9-3-8-13(22(18,20)21)15(14(9)17)19-10(2)11-4-6-12(16)7-5-11/h3-8,10,19H,1-2H3,(H2,18,20,21)
InChIKeyMHOWEGVMUFEGRT-UHFFFAOYSA-N
MW326.37 g/mol
LogP3.09
Rot. Bonds4

About 3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide

3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide (PubChem CID 166343003) has the molecular formula C15H16F2N2O2S and a molecular weight of 326.37 g/mol. Its IUPAC name is 3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide
PubChem CID166343003
Molecular FormulaC15H16F2N2O2S
Molecular Weight326.37 g/mol
Exact Mass326.09
IUPAC Name3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(N)(=O)=O)c(NC(C)c2ccc(F)cc2)c1F
InChIInChI=1S/C15H16F2N2O2S/c1-9-3-8-13(22(18,20)21)15(14(9)17)19-10(2)11-4-6-12(16)7-5-11/h3-8,10,19H,1-2H3,(H2,18,20,21)
InChIKeyMHOWEGVMUFEGRT-UHFFFAOYSA-N
XLogP3.09
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
CID 43764060
N-[1-(4-fluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448200
2-N-[1-(4-fluorophenyl)ethyl]-3-methylbenzene-1,2-diamine
CID 115550261
2-(cyclopropylamino)-3-fluoro-4-methylbenzenesulfonamide
CID 67530121
2,6-dibromo-N-[1-(4-fluorophenyl)ethyl]-4-methylaniline
CID 43126197
5-[1-(4-bromophenyl)ethylamino]-2-methylbenzenesulfonamide
CID 43105910
2,6-difluoro-N-[1-(4-iodophenyl)ethyl]-3-methylaniline
CID 82816580
3-N-[(1S)-1-(4-fluorophenyl)ethyl]benzene-1,3-disulfonamide
CID 30286902
5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43104040
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 81349529
4-[1-(2,6-difluoro-3-methylanilino)ethyl]benzonitrile
CID 82818775
2-chloro-N-[1-(4-fluorophenyl)ethyl]-4-methylpyridin-3-amine
CID 65482956

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide?
The IUPAC name of 3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide (CID 166343003) is 3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide is Cc1ccc(S(N)(=O)=O)c(NC(C)c2ccc(F)cc2)c1F.
What is the InChIKey of 3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide?
The InChIKey is MHOWEGVMUFEGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N2O2S/c1-9-3-8-13(22(18,20)21)15(14(9)17)19-10(2)11-4-6-12(16)7-5-11/h3-8,10,19H,1-2H3,(H2,18,20,21).
What are the key properties of 3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide?
3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide has a molecular weight of 326.37 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide is sourced from PubChem (CID 166343003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).