(E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide

C14H13ClN2O2S — CID 166405005

IUPAC(E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide
SMILESCN(c1cccnc1)S(=O)(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O2S/c1-17(14-6-3-8-16-11-14)20(18,19)9-7-12-4-2-5-13(15)10-12/h2-11H,1H3/b9-7+
InChIKeyJXLMCKHJGUQCJF-VQHVLOKHSA-N
MW308.79 g/mol
LogP3.17
Rot. Bonds4

About (E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide

(E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide (PubChem CID 166405005) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is (E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide
PubChem CID166405005
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC Name(E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide
SMILESCN(c1cccnc1)S(=O)(=O)/C=C/c1cccc(Cl)c1
InChIInChI=1S/C14H13ClN2O2S/c1-17(14-6-3-8-16-11-14)20(18,19)9-7-12-4-2-5-13(15)10-12/h2-11H,1H3/b9-7+
InChIKeyJXLMCKHJGUQCJF-VQHVLOKHSA-N
XLogP3.17
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide?
The IUPAC name of (E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide (CID 166405005) is (E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide.
What is the SMILES notation for (E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide?
The canonical SMILES for (E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide is CN(c1cccnc1)S(=O)(=O)/C=C/c1cccc(Cl)c1.
What is the InChIKey of (E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide?
The InChIKey is JXLMCKHJGUQCJF-VQHVLOKHSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c1-17(14-6-3-8-16-11-14)20(18,19)9-7-12-4-2-5-13(15)10-12/h2-11H,1H3/b9-7+.
What are the key properties of (E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide?
(E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide has a molecular weight of 308.79 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-chlorophenyl)-N-methyl-N-pyridin-3-ylethenesulfonamide is sourced from PubChem (CID 166405005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).