4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide

C16H17F2NO3S — CID 110787563

IUPAC4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(F)cc2C)cc1F
InChIInChI=1S/C16H17F2NO3S/c1-11-9-13(17)4-6-16(11)23(20,21)19-8-7-12-3-5-15(22-2)14(18)10-12/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyJYQAUEIXZFMTNT-UHFFFAOYSA-N
MW341.38 g/mol
LogP2.80
Rot. Bonds6

About 4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide

4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide (PubChem CID 110787563) has the molecular formula C16H17F2NO3S and a molecular weight of 341.38 g/mol. Its IUPAC name is 4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
PubChem CID110787563
Molecular FormulaC16H17F2NO3S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Name4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
SMILESCOc1ccc(CCNS(=O)(=O)c2ccc(F)cc2C)cc1F
InChIInChI=1S/C16H17F2NO3S/c1-11-9-13(17)4-6-16(11)23(20,21)19-8-7-12-3-5-15(22-2)14(18)10-12/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyJYQAUEIXZFMTNT-UHFFFAOYSA-N
XLogP2.80
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2-methyl-N-[2-(3,4,5-trimethoxyphenyl)ethyl]benzenesulfonamide
CID 113095695
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110788206
N-[2-(4,5-dimethoxy-2-nitrophenyl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 46534971
N-[2-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51170044
5-bromo-N-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethylbenzenesulfonamide
CID 91758594
4-fluoro-N-(5-fluoro-2-methoxyphenyl)-2-methylbenzenesulfonamide
CID 110776614
N-[2-(2-chloro-4-fluorophenoxy)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 113102997
4-fluoro-2-methyl-N-[3-(3-methylphenyl)propyl]benzenesulfonamide
CID 84505251
3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid
CID 1242504
N-[2-(4-chlorophenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 17435586
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
2,3,4-trichloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzenesulfonamide
CID 2729546

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide (CID 110787563) is 4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide is COc1ccc(CCNS(=O)(=O)c2ccc(F)cc2C)cc1F.
What is the InChIKey of 4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide?
The InChIKey is JYQAUEIXZFMTNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO3S/c1-11-9-13(17)4-6-16(11)23(20,21)19-8-7-12-3-5-15(22-2)14(18)10-12/h3-6,9-10,19H,7-8H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide has a molecular weight of 341.38 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 110787563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).