2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide

C16H17F2NO4S — CID 167934307

IUPAC2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide
SMILESCOc1cc(OC(F)F)ccc1-c1ccc(CCS(N)(=O)=O)cc1
InChIInChI=1S/C16H17F2NO4S/c1-22-15-10-13(23-16(17)18)6-7-14(15)12-4-2-11(3-5-12)8-9-24(19,20)21/h2-7,10,16H,8-9H2,1H3,(H2,19,20,21)
InChIKeyMQXWGGCSRDYKEK-UHFFFAOYSA-N
MW357.38 g/mol
LogP2.79
Rot. Bonds7

About 2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide

2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide (PubChem CID 167934307) has the molecular formula C16H17F2NO4S and a molecular weight of 357.38 g/mol. Its IUPAC name is 2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide.

Molecular Properties

Compound Name2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide
PubChem CID167934307
Molecular FormulaC16H17F2NO4S
Molecular Weight357.38 g/mol
Exact Mass357.08
IUPAC Name2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide
SMILESCOc1cc(OC(F)F)ccc1-c1ccc(CCS(N)(=O)=O)cc1
InChIInChI=1S/C16H17F2NO4S/c1-22-15-10-13(23-16(17)18)6-7-14(15)12-4-2-11(3-5-12)8-9-24(19,20)21/h2-7,10,16H,8-9H2,1H3,(H2,19,20,21)
InChIKeyMQXWGGCSRDYKEK-UHFFFAOYSA-N
XLogP2.79
TPSA78.62 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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(difluoromethoxy)-2-methoxyphenyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-sulfonamide
CID 139014653
5-[2-[4-(difluoromethoxy)phenyl]ethyl]-1,2,3-trimethoxybenzene
CID 137454177
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
(2R)-2-[[4-(2,4-dimethoxyphenyl)phenyl]methyl]-N'-hydroxybutanediamide
CID 142645741
3-[4-(difluoromethoxy)-2-methoxyphenyl]-1H-pyridazin-6-one
CID 172780579
2-[4-(4-butylphenyl)phenyl]-4-(difluoromethoxy)benzoic acid
CID 67865739
3-(2,4-dimethoxyphenyl)propane-1-sulfonamide
CID 175051954
2-[4-(4-bromophenyl)-3-methoxyphenyl]ethanamine
CID 141163384
2-[4-(difluoromethoxy)phenyl]ethanol;ethane
CID 142357995
[2-(difluoromethoxy)-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl] sulfamate
CID 137451145
2-[[4-(difluoromethoxy)phenyl]methyl-methylamino]-N-(2,4-dimethoxyphenyl)propanamide
CID 86918893
N-[2-[4-(difluoromethoxy)phenyl]ethyl]-3-methoxynaphthalene-2-carboxamide
CID 18225243

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide?
The IUPAC name of 2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide (CID 167934307) is 2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide.
What is the SMILES notation for 2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide?
The canonical SMILES for 2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide is COc1cc(OC(F)F)ccc1-c1ccc(CCS(N)(=O)=O)cc1.
What is the InChIKey of 2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide?
The InChIKey is MQXWGGCSRDYKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2NO4S/c1-22-15-10-13(23-16(17)18)6-7-14(15)12-4-2-11(3-5-12)8-9-24(19,20)21/h2-7,10,16H,8-9H2,1H3,(H2,19,20,21).
What are the key properties of 2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide?
2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide has a molecular weight of 357.38 g/mol, XLogP of 2.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(difluoromethoxy)-2-methoxyphenyl]phenyl]ethanesulfonamide is sourced from PubChem (CID 167934307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).