4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide

C15H17FN2O2S — CID 43764060

IUPAC4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
SMILESCc1ccc(F)cc1NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H17FN2O2S/c1-10-3-6-13(16)9-15(10)18-11(2)12-4-7-14(8-5-12)21(17,19)20/h3-9,11,18H,1-2H3,(H2,17,19,20)
InChIKeyPJIPGNZDGHIIRU-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.95
Rot. Bonds4

About 4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide

4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide (PubChem CID 43764060) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
PubChem CID43764060
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide
SMILESCc1ccc(F)cc1NC(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C15H17FN2O2S/c1-10-3-6-13(16)9-15(10)18-11(2)12-4-7-14(8-5-12)21(17,19)20/h3-9,11,18H,1-2H3,(H2,17,19,20)
InChIKeyPJIPGNZDGHIIRU-UHFFFAOYSA-N
XLogP2.95
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]aniline
CID 43104040
5-fluoro-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]aniline
CID 43109585
5-[1-(5-fluoro-2-methylanilino)ethyl]benzene-1,3-diol
CID 107705061
4-[1-(5-fluoro-2-methylanilino)ethyl]benzonitrile
CID 43195440
5-fluoro-2-methyl-N-[1-(4-propan-2-yloxyphenyl)ethyl]aniline
CID 43097181
4-[1-(4-chlorophenyl)ethylamino]-3-fluorobenzenesulfonamide
CID 60713097
5-fluoro-2-methyl-N-(1-naphthalen-2-ylethyl)aniline
CID 43107692
3-fluoro-2-[1-(4-fluorophenyl)ethylamino]-4-methylbenzenesulfonamide
CID 166343003
4-[(1S)-1-[(5-fluoro-2-methylphenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 124885486
2-methyl-5-methylsulfonyl-N-(1-phenylethyl)aniline
CID 43685169
5-fluoro-N-[1-(5-fluoro-3-pyridinyl)ethyl]-2-methylaniline
CID 113354817
4-[1-(2-iodoanilino)ethyl]benzenesulfonamide
CID 43773421

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide?
The IUPAC name of 4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide (CID 43764060) is 4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide?
The canonical SMILES for 4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide is Cc1ccc(F)cc1NC(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide?
The InChIKey is PJIPGNZDGHIIRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-10-3-6-13(16)9-15(10)18-11(2)12-4-7-14(8-5-12)21(17,19)20/h3-9,11,18H,1-2H3,(H2,17,19,20).
What are the key properties of 4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide?
4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-fluoro-2-methylanilino)ethyl]benzenesulfonamide is sourced from PubChem (CID 43764060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).