N-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide

C22H22N2O2S — CID 23521677

IUPACN-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESC=C(c1ccccc1)c1cccc(N(Cc2cccnc2)S(=O)(=O)CC)c1
InChIInChI=1S/C22H22N2O2S/c1-3-27(25,26)24(17-19-9-8-14-23-16-19)22-13-7-12-21(15-22)18(2)20-10-5-4-6-11-20/h4-16H,2-3,17H2,1H3
InChIKeyUCZUTGUMYWCUCY-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.50
Rot. Bonds7

About N-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide

N-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide (PubChem CID 23521677) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
PubChem CID23521677
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC NameN-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide
SMILESC=C(c1ccccc1)c1cccc(N(Cc2cccnc2)S(=O)(=O)CC)c1
InChIInChI=1S/C22H22N2O2S/c1-3-27(25,26)24(17-19-9-8-14-23-16-19)22-13-7-12-21(15-22)18(2)20-10-5-4-6-11-20/h4-16H,2-3,17H2,1H3
InChIKeyUCZUTGUMYWCUCY-UHFFFAOYSA-N
XLogP4.50
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 819349
CID 819349
CID 9864510
CID 9864510
CID 121481824
CID 121481824
CID 121481838
CID 121481838
CID 2738278
CID 2738278
CID 2770922
CID 2770922
CID 9926659
CID 9926659
CID 9967049
CID 9967049
CID 10249222
CID 10249222
CID 11568363
CID 11568363
CID 11704482
CID 11704482
CID 21274454
CID 21274454

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The IUPAC name of N-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide (CID 23521677) is N-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide.
What is the SMILES notation for N-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The canonical SMILES for N-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide is C=C(c1ccccc1)c1cccc(N(Cc2cccnc2)S(=O)(=O)CC)c1.
What is the InChIKey of N-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
The InChIKey is UCZUTGUMYWCUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c1-3-27(25,26)24(17-19-9-8-14-23-16-19)22-13-7-12-21(15-22)18(2)20-10-5-4-6-11-20/h4-16H,2-3,17H2,1H3.
What are the key properties of N-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide?
N-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide has a molecular weight of 378.50 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-phenylethenyl)phenyl]-N-(pyridin-3-ylmethyl)ethanesulfonamide is sourced from PubChem (CID 23521677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).