1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide

C13H13ClN2O2S — CID 2738376

IUPAC1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1cccnc1
InChIInChI=1S/C13H13ClN2O2S/c14-13-5-3-11(4-6-13)10-19(17,18)16-9-12-2-1-7-15-8-12/h1-8,16H,9-10H2
InChIKeyGSFSNPHKTVYHJU-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.35
Rot. Bonds5

About 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide

1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide (PubChem CID 2738376) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
PubChem CID2738376
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC Name1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCc1cccnc1
InChIInChI=1S/C13H13ClN2O2S/c14-13-5-3-11(4-6-13)10-19(17,18)16-9-12-2-1-7-15-8-12/h1-8,16H,9-10H2
InChIKeyGSFSNPHKTVYHJU-UHFFFAOYSA-N
XLogP2.35
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide (CID 2738376) is 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccnc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
The InChIKey is GSFSNPHKTVYHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c14-13-5-3-11(4-6-13)10-19(17,18)16-9-12-2-1-7-15-8-12/h1-8,16H,9-10H2.
What are the key properties of 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide?
1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide has a molecular weight of 296.78 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(pyridin-3-ylmethyl)methanesulfonamide is sourced from PubChem (CID 2738376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).