2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine

C20H16Cl2N2O4S2 — CID 88656932

IUPAC2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine
SMILESO=S(=O)(C(=CNCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2N2O4S2/c21-15-4-8-18(9-5-15)29(25,26)20(14-23-13-17-3-1-2-12-24-17)30(27,28)19-10-6-16(22)7-11-19/h1-12,14,23H,13H2
InChIKeyKOMUQEDJJLITDG-UHFFFAOYSA-N
MW483.40 g/mol
LogP4.22
Rot. Bonds7

About 2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine

2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine (PubChem CID 88656932) has the molecular formula C20H16Cl2N2O4S2 and a molecular weight of 483.40 g/mol. Its IUPAC name is 2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine.

Molecular Properties

Compound Name2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine
PubChem CID88656932
Molecular FormulaC20H16Cl2N2O4S2
Molecular Weight483.40 g/mol
Exact Mass481.99
IUPAC Name2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine
SMILESO=S(=O)(C(=CNCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C20H16Cl2N2O4S2/c21-15-4-8-18(9-5-15)29(25,26)20(14-23-13-17-3-1-2-12-24-17)30(27,28)19-10-6-16(22)7-11-19/h1-12,14,23H,13H2
InChIKeyKOMUQEDJJLITDG-UHFFFAOYSA-N
XLogP4.22
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine?
The IUPAC name of 2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine (CID 88656932) is 2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine.
What is the SMILES notation for 2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine?
The canonical SMILES for 2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine is O=S(=O)(C(=CNCc1ccccn1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine?
The InChIKey is KOMUQEDJJLITDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Cl2N2O4S2/c21-15-4-8-18(9-5-15)29(25,26)20(14-23-13-17-3-1-2-12-24-17)30(27,28)19-10-6-16(22)7-11-19/h1-12,14,23H,13H2.
What are the key properties of 2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine?
2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine has a molecular weight of 483.40 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-bis[(4-chlorophenyl)sulfonyl]-N-(pyridin-2-ylmethyl)ethenamine is sourced from PubChem (CID 88656932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).