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

C22H26N2O3S — CID 91055403

IUPACethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCC.CCS(=O)(=O)N(Cc1cccnc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H20N2O3S.C2H6/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;1-2/h3-15H,2,16H2,1H3;1-2H3
InChIKeyPEZUXDRLLDTXHE-UHFFFAOYSA-N
MW398.53 g/mol
LogP5.26
Rot. Bonds7

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

ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 91055403) has the molecular formula C22H26N2O3S and a molecular weight of 398.53 g/mol. Its IUPAC name is ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound Nameethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID91055403
Molecular FormulaC22H26N2O3S
Molecular Weight398.53 g/mol
Exact Mass398.17
IUPAC Nameethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESCC.CCS(=O)(=O)N(Cc1cccnc1)c1cccc(Oc2ccccc2)c1
InChIInChI=1S/C20H20N2O3S.C2H6/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;1-2/h3-15H,2,16H2,1H3;1-2H3
InChIKeyPEZUXDRLLDTXHE-UHFFFAOYSA-N
XLogP5.26
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.53
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360546
N-[3-(phenoxymethyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521708
N-(3-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360575
N-[4-(2-methoxyphenoxy)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 10157712
N-(3-methylphenyl)-2-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 110360388
N-(3-chlorophenyl)-1-phenyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 110360985
N-[3-[hydroxy-(4-methylphenyl)methyl]phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521704
2-chloro-N-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 110360581
2,2,2-trifluoro-N-phenyl-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 23521664
N-[3-(dimethylamino)phenyl]-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 90872302
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001
N-(4-methoxyphenyl)-3-phenyl-N-(pyridin-3-ylmethyl)propane-1-sulfonamide
CID 110360679

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 91055403) is ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide is CC.CCS(=O)(=O)N(Cc1cccnc1)c1cccc(Oc2ccccc2)c1.
What is the InChIKey of ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is PEZUXDRLLDTXHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S.C2H6/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;1-2/h3-15H,2,16H2,1H3;1-2H3.
What are the key properties of ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide?
ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 398.53 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-phenoxyphenyl)-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 91055403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).