1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide

C12H11ClN2O2S — CID 973520

IUPAC1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1ccccn1
InChIInChI=1S/C12H11ClN2O2S/c13-11-6-2-1-5-10(11)9-18(16,17)15-12-7-3-4-8-14-12/h1-8H,9H2,(H,14,15)
InChIKeyQVNABUCEGVXEMC-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.68
Rot. Bonds4

About 1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide

1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide (PubChem CID 973520) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide
PubChem CID973520
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC Name1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1Cl)Nc1ccccn1
InChIInChI=1S/C12H11ClN2O2S/c13-11-6-2-1-5-10(11)9-18(16,17)15-12-7-3-4-8-14-12/h1-8H,9H2,(H,14,15)
InChIKeyQVNABUCEGVXEMC-UHFFFAOYSA-N
XLogP2.68
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide (CID 973520) is 1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide is O=S(=O)(Cc1ccccc1Cl)Nc1ccccn1.
What is the InChIKey of 1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide?
The InChIKey is QVNABUCEGVXEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c13-11-6-2-1-5-10(11)9-18(16,17)15-12-7-3-4-8-14-12/h1-8H,9H2,(H,14,15).
What are the key properties of 1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide?
1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide has a molecular weight of 282.75 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-pyridin-2-ylmethanesulfonamide is sourced from PubChem (CID 973520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).