N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide

C16H17F2NO4S — CID 110673847

IUPACN-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C16H17F2NO4S/c1-22-15-6-3-11(9-16(15)23-2)7-8-24(20,21)19-14-5-4-12(17)10-13(14)18/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyLKBPBSXXSVSOHJ-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.97
Rot. Bonds7

About N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide

N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide (PubChem CID 110673847) has the molecular formula C16H17F2NO4S and a molecular weight of 357.38 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
PubChem CID110673847
Molecular FormulaC16H17F2NO4S
Molecular Weight357.38 g/mol
Exact Mass357.08
IUPAC NameN-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
SMILESCOc1ccc(CCS(=O)(=O)Nc2ccc(F)cc2F)cc1OC
InChIInChI=1S/C16H17F2NO4S/c1-22-15-6-3-11(9-16(15)23-2)7-8-24(20,21)19-14-5-4-12(17)10-13(14)18/h3-6,9-10,19H,7-8H2,1-2H3
InChIKeyLKBPBSXXSVSOHJ-UHFFFAOYSA-N
XLogP2.97
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-(4-methylphenyl)ethanesulfonamide
CID 110673808
N-(2,4-difluorophenyl)-4-(3,4-dimethoxyphenyl)butanamide
CID 110426742
1-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 883790
N'-(2,4-difluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanediamide
CID 108949762
2-(3,4-dimethoxyphenyl)-N-(3-methylphenyl)ethanesulfonamide
CID 110673807
N-(2,4-difluorophenyl)-3-[2-(3,4-dimethoxyphenyl)ethylamino]propanamide
CID 109027869
2-(3,4-dimethoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)ethanesulfonamide
CID 110673859
N-(4-acetylphenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide
CID 110673839
1-(2,4-difluorophenyl)-3-[(3,4-dimethoxyphenyl)methyl]thiourea
CID 17297638
methyl 4-[(2,4-difluorophenyl)sulfamoylmethyl]benzoate
CID 92681454
N-[2-(2,4-difluoroanilino)-2-oxoethyl]-2-(3,4-dimethoxyphenyl)acetamide
CID 113000840
N-(2,4-difluorophenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 900628

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide (CID 110673847) is N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide is COc1ccc(CCS(=O)(=O)Nc2ccc(F)cc2F)cc1OC.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide?
The InChIKey is LKBPBSXXSVSOHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO4S/c1-22-15-6-3-11(9-16(15)23-2)7-8-24(20,21)19-14-5-4-12(17)10-13(14)18/h3-6,9-10,19H,7-8H2,1-2H3.
What are the key properties of N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide?
N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide has a molecular weight of 357.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(3,4-dimethoxyphenyl)ethanesulfonamide is sourced from PubChem (CID 110673847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).