2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide

C12H10Cl2N2O2S — CID 891215

IUPAC2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N2O2S/c13-10-5-3-6-11(14)12(10)19(17,18)16-8-9-4-1-2-7-15-9/h1-7,16H,8H2
InChIKeyUPCSMSLLAKBASP-UHFFFAOYSA-N
MW317.20 g/mol
LogP2.87
Rot. Bonds4

About 2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide

2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 891215) has the molecular formula C12H10Cl2N2O2S and a molecular weight of 317.20 g/mol. Its IUPAC name is 2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID891215
Molecular FormulaC12H10Cl2N2O2S
Molecular Weight317.20 g/mol
Exact Mass315.98
IUPAC Name2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccccn1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N2O2S/c13-10-5-3-6-11(14)12(10)19(17,18)16-8-9-4-1-2-7-15-9/h1-7,16H,8H2
InChIKeyUPCSMSLLAKBASP-UHFFFAOYSA-N
XLogP2.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.20
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 891215) is 2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccccn1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is UPCSMSLLAKBASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2O2S/c13-10-5-3-6-11(14)12(10)19(17,18)16-8-9-4-1-2-7-15-9/h1-7,16H,8H2.
What are the key properties of 2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide?
2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 317.20 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 891215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).