N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide

C17H20FNO4S — CID 51278432

IUPACN-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(C)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H20FNO4S/c1-12(13-5-7-14(18)8-6-13)19(2)24(20,21)15-9-10-16(22-3)17(11-15)23-4/h5-12H,1-4H3
InChIKeyZDOQSDKZMGUCFN-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.22
Rot. Bonds6

About N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide

N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide (PubChem CID 51278432) has the molecular formula C17H20FNO4S and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
PubChem CID51278432
Molecular FormulaC17H20FNO4S
Molecular Weight353.42 g/mol
Exact Mass353.11
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(C)C(C)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H20FNO4S/c1-12(13-5-7-14(18)8-6-13)19(2)24(20,21)15-9-10-16(22-3)17(11-15)23-4/h5-12H,1-4H3
InChIKeyZDOQSDKZMGUCFN-UHFFFAOYSA-N
XLogP3.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide
CID 51278422
3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 55681643
N-(3,4-dimethoxyphenyl)-N-[1-(3,4-dimethoxyphenyl)ethyl]-4-fluorobenzenesulfonamide
CID 46022076
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
methyl 3-[1-(4-fluorophenyl)ethyl-methylsulfamoyl]benzoate
CID 51335257
N-[2-methoxy-5-[methyl-[(1R)-1-(4-methylsulfonylphenyl)ethyl]sulfamoyl]phenyl]acetamide
CID 25494709
N-ethyl-N-(4-fluorophenyl)-3,4-dimethoxybenzenesulfonamide
CID 17442526
N-[1-(1-benzofuran-2-yl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 42947496
2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 8801941
N-[(1S)-1-(4-chlorophenyl)ethyl]-3,5-difluoro-N-methylbenzenesulfonamide
CID 35391042
N-(3-hydroxybutyl)-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 115741211
4-fluoro-N-methyl-N-[1-(3-nitrophenyl)ethyl]benzenesulfonamide
CID 24525683

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide (CID 51278432) is N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide is COc1ccc(S(=O)(=O)N(C)C(C)c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide?
The InChIKey is ZDOQSDKZMGUCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO4S/c1-12(13-5-7-14(18)8-6-13)19(2)24(20,21)15-9-10-16(22-3)17(11-15)23-4/h5-12H,1-4H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide?
N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide has a molecular weight of 353.42 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 51278432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).