3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide

C20H17F2NO4S — CID 126715220

IUPAC3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cc(OCc3ccccc3)ccc2OC(F)F)c1
InChIInChI=1S/C20H17F2NO4S/c21-20(22)27-19-10-9-16(26-13-14-5-2-1-3-6-14)12-18(19)15-7-4-8-17(11-15)28(23,24)25/h1-12,20H,13H2,(H2,23,24,25)
InChIKeyYWNAITGCXLFAIX-UHFFFAOYSA-N
MW405.42 g/mol
LogP4.18
Rot. Bonds7

About 3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide

3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide (PubChem CID 126715220) has the molecular formula C20H17F2NO4S and a molecular weight of 405.42 g/mol. Its IUPAC name is 3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide
PubChem CID126715220
Molecular FormulaC20H17F2NO4S
Molecular Weight405.42 g/mol
Exact Mass405.08
IUPAC Name3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(-c2cc(OCc3ccccc3)ccc2OC(F)F)c1
InChIInChI=1S/C20H17F2NO4S/c21-20(22)27-19-10-9-16(26-13-14-5-2-1-3-6-14)12-18(19)15-7-4-8-17(11-15)28(23,24)25/h1-12,20H,13H2,(H2,23,24,25)
InChIKeyYWNAITGCXLFAIX-UHFFFAOYSA-N
XLogP4.18
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
CID 126731002
4-(difluoromethoxy)-3-(3-phenylmethoxyphenyl)benzaldehyde
CID 166639003
3-(3-methylsulfonylphenyl)-4-phenylmethoxyaniline
CID 169408826
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
2-(difluoromethoxy)-4-(3-phenylmethoxyphenyl)benzonitrile
CID 175686570
5-phenylmethoxy-2-[3-(trifluoromethoxy)phenyl]aniline
CID 172674848
2-amino-4-phenylmethoxybenzenesulfonamide
CID 79466915
2-phenyl-5-phenylmethoxyphenol
CID 123808909
2-(2-hydroxy-5-phenylmethoxyphenyl)-4-phenylmethoxyphenol
CID 71613877
(3-phenylmethoxyphenyl)methanesulfonamide
CID 165446616
3-(2-fluorophenyl)benzenesulfonamide
CID 71091103
1-(benzenesulfonyl)-3-methyl-6-phenylmethoxy-2,3-dihydroindole
CID 10054281

Frequently Asked Questions

What is the IUPAC name of 3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide?
The IUPAC name of 3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide (CID 126715220) is 3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide.
What is the SMILES notation for 3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide?
The canonical SMILES for 3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide is NS(=O)(=O)c1cccc(-c2cc(OCc3ccccc3)ccc2OC(F)F)c1.
What is the InChIKey of 3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide?
The InChIKey is YWNAITGCXLFAIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2NO4S/c21-20(22)27-19-10-9-16(26-13-14-5-2-1-3-6-14)12-18(19)15-7-4-8-17(11-15)28(23,24)25/h1-12,20H,13H2,(H2,23,24,25).
What are the key properties of 3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide?
3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide has a molecular weight of 405.42 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(difluoromethoxy)-5-phenylmethoxyphenyl]benzenesulfonamide is sourced from PubChem (CID 126715220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).