2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine

C14H14Cl2N2O2S — CID 83169560

IUPAC2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NCc1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C14H14Cl2N2O2S/c1-9-6-7-17-14(16)13(9)18-8-10-11(15)4-3-5-12(10)21(2,19)20/h3-7,18H,8H2,1-2H3
InChIKeyAGEIWLIQABGZRJ-UHFFFAOYSA-N
MW345.25 g/mol
LogP3.71
Rot. Bonds4

About 2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine

2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine (PubChem CID 83169560) has the molecular formula C14H14Cl2N2O2S and a molecular weight of 345.25 g/mol. Its IUPAC name is 2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine
PubChem CID83169560
Molecular FormulaC14H14Cl2N2O2S
Molecular Weight345.25 g/mol
Exact Mass344.02
IUPAC Name2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NCc1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C14H14Cl2N2O2S/c1-9-6-7-17-14(16)13(9)18-8-10-11(15)4-3-5-12(10)21(2,19)20/h3-7,18H,8H2,1-2H3
InChIKeyAGEIWLIQABGZRJ-UHFFFAOYSA-N
XLogP3.71
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 83167952
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(4-methyl-2-pyridinyl)methanamine
CID 167982227
4-bromo-N-[(2-chloro-6-methylsulfonylphenyl)methyl]aniline
CID 83169873
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-ethylaniline
CID 83169174
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 83169313
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine
CID 83168922
1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104589813
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 115989388
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984
4-bromo-2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]aniline
CID 83168329
1-(2-chloro-6-methylsulfonylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 83170912
N-[(2,6-dichlorophenyl)methyl]-2-ethyl-6-methylaniline
CID 63448215

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine?
The IUPAC name of 2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine (CID 83169560) is 2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine?
The canonical SMILES for 2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine is Cc1ccnc(Cl)c1NCc1c(Cl)cccc1S(C)(=O)=O.
What is the InChIKey of 2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine?
The InChIKey is AGEIWLIQABGZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2S/c1-9-6-7-17-14(16)13(9)18-8-10-11(15)4-3-5-12(10)21(2,19)20/h3-7,18H,8H2,1-2H3.
What are the key properties of 2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine?
2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine has a molecular weight of 345.25 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine is sourced from PubChem (CID 83169560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).