N-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine

C13H13ClN2O2S — CID 511955

IUPACN-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine
SMILESCS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C13H13ClN2O2S/c1-19(17,18)12-6-7-13(16-9-12)15-8-10-2-4-11(14)5-3-10/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyLWODCEZDAZRHME-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.75
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine

N-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine (PubChem CID 511955) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine
PubChem CID511955
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine
SMILESCS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2)nc1
InChIInChI=1S/C13H13ClN2O2S/c1-19(17,18)12-6-7-13(16-9-12)15-8-10-2-4-11(14)5-3-10/h2-7,9H,8H2,1H3,(H,15,16)
InChIKeyLWODCEZDAZRHME-UHFFFAOYSA-N
XLogP2.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine (CID 511955) is N-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine is CS(=O)(=O)c1ccc(NCc2ccc(Cl)cc2)nc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine?
The InChIKey is LWODCEZDAZRHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-19(17,18)12-6-7-13(16-9-12)15-8-10-2-4-11(14)5-3-10/h2-7,9H,8H2,1H3,(H,15,16).
What are the key properties of N-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine?
N-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine has a molecular weight of 296.78 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-5-methylsulfonylpyridin-2-amine is sourced from PubChem (CID 511955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).