N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide

C15H16FNO2S — CID 47096598

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCC(c1ccc(F)cc1)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16FNO2S/c1-12(13-8-10-14(16)11-9-13)17(2)20(18,19)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyNDIUPECJBAVFNQ-UHFFFAOYSA-N
MW293.36 g/mol
LogP3.21
Rot. Bonds4

About N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide

N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide (PubChem CID 47096598) has the molecular formula C15H16FNO2S and a molecular weight of 293.36 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
PubChem CID47096598
Molecular FormulaC15H16FNO2S
Molecular Weight293.36 g/mol
Exact Mass293.09
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
SMILESCC(c1ccc(F)cc1)N(C)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H16FNO2S/c1-12(13-8-10-14(16)11-9-13)17(2)20(18,19)15-6-4-3-5-7-15/h3-12H,1-2H3
InChIKeyNDIUPECJBAVFNQ-UHFFFAOYSA-N
XLogP3.21
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
N-[1-(4-bromophenyl)ethyl]-N-methylbenzenesulfonamide
CID 102147308
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide
CID 51278422
methyl 3-[1-(4-fluorophenyl)ethyl-methylsulfamoyl]benzoate
CID 51335257
2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 65428183
N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 51278432
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076
4-bromo-N-[(4-fluorophenyl)-phenylmethyl]-N-methylbenzenesulfonamide
CID 138999298
3-bromo-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 46557682
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide
CID 35391042
4-fluoro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzenesulfonamide
CID 24525683
4-bromo-3-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 103697221

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide (CID 47096598) is N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide is CC(c1ccc(F)cc1)N(C)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide?
The InChIKey is NDIUPECJBAVFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO2S/c1-12(13-8-10-14(16)11-9-13)17(2)20(18,19)15-6-4-3-5-7-15/h3-12H,1-2H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide?
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide has a molecular weight of 293.36 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 47096598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).