3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide

C15H17FN2O2S — CID 97337885

IUPAC3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc([C@@H](C)Nc2cccc(F)c2)c1
InChIInChI=1S/C15H17FN2O2S/c1-11(18-14-7-4-6-13(16)10-14)12-5-3-8-15(9-12)21(19,20)17-2/h3-11,17-18H,1-2H3/t11-/m1/s1
InChIKeyRJUVNDVZSDXTAF-LLVKDONJSA-N
MW308.38 g/mol
LogP2.91
Rot. Bonds5

About 3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide

3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide (PubChem CID 97337885) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide
PubChem CID97337885
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc([C@@H](C)Nc2cccc(F)c2)c1
InChIInChI=1S/C15H17FN2O2S/c1-11(18-14-7-4-6-13(16)10-14)12-5-3-8-15(9-12)21(19,20)17-2/h3-11,17-18H,1-2H3/t11-/m1/s1
InChIKeyRJUVNDVZSDXTAF-LLVKDONJSA-N
XLogP2.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-fluoroanilino)ethyl]benzenesulfonamide
CID 43762132
3-[1-(3-chlorophenyl)ethylamino]-N-methylbenzenesulfonamide
CID 43688525
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
3-N-(3-fluorophenyl)-1-N-methylbenzene-1,3-disulfonamide
CID 49186407
3-fluoro-N-[1-(4-fluorophenyl)ethyl]aniline
CID 43178604
N-methyl-4-[1-(3-methylphenyl)ethylamino]benzenesulfonamide
CID 43790317
N-methyl-3-[1-(propylamino)ethyl]benzenesulfonamide
CID 43506750
N-[1-(4-chlorophenyl)ethyl]-3-fluoroaniline
CID 43093632
N-methyl-3-(4-methylpentan-2-ylamino)benzenesulfonamide
CID 43688554
1-N-[1-(3-fluorophenyl)ethyl]-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376525
N-[1-(4-ethylphenyl)ethyl]-3-fluoroaniline
CID 43104035
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of 3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide (CID 97337885) is 3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1cccc([C@@H](C)Nc2cccc(F)c2)c1.
What is the InChIKey of 3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is RJUVNDVZSDXTAF-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-11(18-14-7-4-6-13(16)10-14)12-5-3-8-15(9-12)21(19,20)17-2/h3-11,17-18H,1-2H3/t11-/m1/s1.
What are the key properties of 3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide?
3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.91, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(3-fluoroanilino)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 97337885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).