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

C15H15F2NO3S — CID 51169674

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2NO3S/c1-10(11-7-8-12(16)13(17)9-11)18-22(19,20)15-6-4-3-5-14(15)21-2/h3-10,18H,1-2H3
InChIKeyVKRIZYBTTZBQGB-UHFFFAOYSA-N
MW327.35 g/mol
LogP3.01
Rot. Bonds5

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

N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 51169674) has the molecular formula C15H15F2NO3S and a molecular weight of 327.35 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID51169674
Molecular FormulaC15H15F2NO3S
Molecular Weight327.35 g/mol
Exact Mass327.07
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccccc1S(=O)(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C15H15F2NO3S/c1-10(11-7-8-12(16)13(17)9-11)18-22(19,20)15-6-4-3-5-14(15)21-2/h3-10,18H,1-2H3
InChIKeyVKRIZYBTTZBQGB-UHFFFAOYSA-N
XLogP3.01
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3,4-difluorophenyl)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 43001312
N-[1-(3-chlorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 51169513
2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 18097044
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 28560633
N-[1-(3,4-difluorophenyl)ethyl]-2,3,4-trifluorobenzenesulfonamide
CID 78686890
N-[1-(3,4-difluorophenyl)ethyl]methanesulfonamide
CID 47121816
4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 50876121
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]methanesulfonamide
CID 47013228
2-chloro-N-[1-(3,4-difluorophenyl)ethyl]pyridine-3-sulfonamide
CID 61051043
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
3,5-dichloro-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 26012217
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 43874274

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide (CID 51169674) is N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide is COc1ccccc1S(=O)(=O)NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is VKRIZYBTTZBQGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO3S/c1-10(11-7-8-12(16)13(17)9-11)18-22(19,20)15-6-4-3-5-14(15)21-2/h3-10,18H,1-2H3.
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 327.35 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 51169674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).