2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide

C15H17FN2O2S — CID 43454307

IUPAC2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCCc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S/c1-17-21(19,20)15-5-3-2-4-14(15)18-11-10-12-6-8-13(16)9-7-12/h2-9,17-18H,10-11H2,1H3
InChIKeyYQCDSFKSOVYHNG-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.39
Rot. Bonds6

About 2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide

2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide (PubChem CID 43454307) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide
PubChem CID43454307
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCCc1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S/c1-17-21(19,20)15-5-3-2-4-14(15)18-11-10-12-6-8-13(16)9-7-12/h2-9,17-18H,10-11H2,1H3
InChIKeyYQCDSFKSOVYHNG-UHFFFAOYSA-N
XLogP2.39
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 62951903
2-(2-methoxyethylamino)-N-methylbenzenesulfonamide
CID 43454289
2-methylsulfonyl-N-(2-phenylethyl)aniline
CID 43388007
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
2-(2,2-difluoroethylamino)-N-methylbenzenesulfonamide
CID 115407635
4-[2-(2-methylsulfonylanilino)ethyl]phenol
CID 61237844
2-(6-aminohexylamino)-N-methylbenzenesulfonamide
CID 107845260
2-[2-[ethyl(methyl)amino]ethylamino]-N-methylbenzenesulfonamide
CID 62639985
3-N-[2-(4-fluorophenyl)ethyl]-2-methylbenzene-1,3-diamine
CID 63076753
N-[4-[2-[2-(trifluoromethylsulfonyl)anilino]ethyl]phenyl]acetamide
CID 133287951
2-(2,3-dimethylbutylamino)-N-methylbenzenesulfonamide
CID 64596946
5-amino-2-[(4-fluorophenyl)methylamino]-N-methylbenzenesulfonamide
CID 103286616

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide (CID 43454307) is 2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCCc1ccc(F)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide?
The InChIKey is YQCDSFKSOVYHNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c1-17-21(19,20)15-5-3-2-4-14(15)18-11-10-12-6-8-13(16)9-7-12/h2-9,17-18H,10-11H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide?
2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide has a molecular weight of 308.38 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 43454307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).