N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide

C16H17F2NO4S — CID 43001312

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H17F2NO4S/c1-10(11-4-6-13(17)14(18)8-11)19-24(20,21)16-9-12(22-2)5-7-15(16)23-3/h4-10,19H,1-3H3
InChIKeyVDJZVWNAUDJSMY-UHFFFAOYSA-N
MW357.38 g/mol
LogP3.02
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide

N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide (PubChem CID 43001312) has the molecular formula C16H17F2NO4S and a molecular weight of 357.38 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
PubChem CID43001312
Molecular FormulaC16H17F2NO4S
Molecular Weight357.38 g/mol
Exact Mass357.08
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
SMILESCOc1ccc(OC)c(S(=O)(=O)NC(C)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C16H17F2NO4S/c1-10(11-4-6-13(17)14(18)8-11)19-24(20,21)16-9-12(22-2)5-7-15(16)23-3/h4-10,19H,1-3H3
InChIKeyVDJZVWNAUDJSMY-UHFFFAOYSA-N
XLogP3.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169674
2,5-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 22201159
2,5-dimethoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzenesulfonamide
CID 40638726
2,5-dimethoxy-N-[1-(4-propylphenyl)ethyl]benzenesulfonamide
CID 22204679
2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]-5-methylbenzenesulfonamide
CID 28560394
N-[1-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzenesulfonamide
CID 22201254
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 28560633
2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 18097044
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 47013228
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-methoxy-5-propan-2-ylbenzenesulfonamide
CID 28560607

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide (CID 43001312) is N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide is COc1ccc(OC)c(S(=O)(=O)NC(C)c2ccc(F)c(F)c2)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide?
The InChIKey is VDJZVWNAUDJSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO4S/c1-10(11-4-6-13(17)14(18)8-11)19-24(20,21)16-9-12(22-2)5-7-15(16)23-3/h4-10,19H,1-3H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide?
N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide has a molecular weight of 357.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide is sourced from PubChem (CID 43001312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).