N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide

C20H20N2O3S — CID 23521709

IUPACN-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccnc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H20N2O3S/c1-2-26(23,24)22(16-17-8-7-13-21-15-17)18-9-6-12-20(14-18)25-19-10-4-3-5-11-19/h3-15H,2,16H2,1H3
InChIKeyTUHCVTFMRNMPPI-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.23
Rot. Bonds7

About N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide

N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 23521709) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID23521709
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1cccnc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H20N2O3S/c1-2-26(23,24)22(16-17-8-7-13-21-15-17)18-9-6-12-20(14-18)25-19-10-4-3-5-11-19/h3-15H,2,16H2,1H3
InChIKeyTUHCVTFMRNMPPI-UHFFFAOYSA-N
XLogP4.23
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,2,2-Trifluoro-N-(4-(2-methoxyphenoxy)phenyl)-N-(3-pyridinylmethyl)ethanesulfonamide
CID 9825084
2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 11362035
cyPPTS
CID 44335556
2-(3-fluoro-5-pyridin-2-yloxyphenyl)-3H-1,2-benzothiazole 1,1-dioxide
CID 86280676
4-[2-(3-Benzenesulfonylamino-5-methyl-phenoxy)-ethylamino]-pyridinium
CID 448956
3-Mppts
CID 10275802
2,2,2-trifluoro-N-(3-phenoxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanesulfonamide
CID 11531912
2,2,2-trifluoro-N-[3-(2-fluorophenoxy)phenyl]-N-(pyrimidin-5-ylmethyl)ethanesulfonamide
CID 11568407
2,2,2-trifluoro-N-[3-(2-methylphenoxy)phenyl]-N-(pyrimidin-5-ylmethyl)ethanesulfonamide
CID 11582941
N-Methyl-N-{3-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
CID 11811066
4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-pyridinium
CID 15227967
2,2,2-Trifluoro-ethanesulfonic acid pyridin-3-ylmethyl-(3-trifluoromethoxy-phenyl)-amide
CID 23521659

Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 23521709) is N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide is CCS(=O)(=O)N(Cc1cccnc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is TUHCVTFMRNMPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-2-26(23,24)22(16-17-8-7-13-21-15-17)18-9-6-12-20(14-18)25-19-10-4-3-5-11-19/h3-15H,2,16H2,1H3.
What are the key properties of N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 368.46 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 23521709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).