N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide

C16H18FNO3S — CID 51278422

IUPACN-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S/c1-12(13-8-10-14(17)11-9-13)18(2)22(19,20)16-7-5-4-6-15(16)21-3/h4-12H,1-3H3
InChIKeySJJLBIARXHQOFO-UHFFFAOYSA-N
MW323.39 g/mol
LogP3.22
Rot. Bonds5

About N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide

N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide (PubChem CID 51278422) has the molecular formula C16H18FNO3S and a molecular weight of 323.39 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide
PubChem CID51278422
Molecular FormulaC16H18FNO3S
Molecular Weight323.39 g/mol
Exact Mass323.10
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)N(C)C(C)c1ccc(F)cc1
InChIInChI=1S/C16H18FNO3S/c1-12(13-8-10-14(17)11-9-13)18(2)22(19,20)16-7-5-4-6-15(16)21-3/h4-12H,1-3H3
InChIKeySJJLBIARXHQOFO-UHFFFAOYSA-N
XLogP3.22
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-3,4-dimethoxy-N-methylbenzenesulfonamide
CID 51278432
N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 47096598
2-methoxy-N,N-di(propan-2-yl)benzenesulfonamide
CID 143578726
2-fluoro-N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 18192076
2-amino-N-[1-(4-fluorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 65428183
2-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 93207276
methyl 3-[1-(4-fluorophenyl)ethyl-methylsulfamoyl]benzoate
CID 51335257
2-methoxy-N,5-dimethyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzenesulfonamide
CID 8801941
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-methylsulfonylbenzamide
CID 43034666
3-chloro-4-(difluoromethoxy)-N-[1-(4-fluorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 55681643
2-methoxy-N-methyl-N-[phenyl(pyridin-2-yl)methyl]benzenesulfonamide
CID 47065174
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide (CID 51278422) is N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide is COc1ccccc1S(=O)(=O)N(C)C(C)c1ccc(F)cc1.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide?
The InChIKey is SJJLBIARXHQOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO3S/c1-12(13-8-10-14(17)11-9-13)18(2)22(19,20)16-7-5-4-6-15(16)21-3/h4-12H,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide?
N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide has a molecular weight of 323.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-2-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 51278422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).