1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

C15H17ClN2O2S — CID 83167952

IUPAC1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccnc1CNCc1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C15H17ClN2O2S/c1-11-5-4-8-18-14(11)10-17-9-12-13(16)6-3-7-15(12)21(2,19)20/h3-8,17H,9-10H2,1-2H3
InChIKeyVBVGWAMKOSIXDY-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.74
Rot. Bonds5

About 1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine

1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (PubChem CID 83167952) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is 1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
PubChem CID83167952
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC Name1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
SMILESCc1cccnc1CNCc1c(Cl)cccc1S(C)(=O)=O
InChIInChI=1S/C15H17ClN2O2S/c1-11-5-4-8-18-14(11)10-17-9-12-13(16)6-3-7-15(12)21(2,19)20/h3-8,17H,9-10H2,1-2H3
InChIKeyVBVGWAMKOSIXDY-UHFFFAOYSA-N
XLogP2.74
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(4-methyl-2-pyridinyl)methanamine
CID 167982227
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
2-chloro-N-[(2-chloro-6-methylsulfonylphenyl)methyl]-4-methylpyridin-3-amine
CID 83169560
1-(2,3-dichlorophenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 63305367
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(1,3-dimethylpyrazol-4-yl)methanamine
CID 115989388
1-(2-chloro-6-methylsulfonylphenyl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 83170912
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(3-chlorophenyl)methanamine
CID 83169424
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(1,3-thiazol-5-yl)methanamine
CID 104589925
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide
CID 83170434

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The IUPAC name of 1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine (CID 83167952) is 1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine.
What is the SMILES notation for 1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The canonical SMILES for 1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is Cc1cccnc1CNCc1c(Cl)cccc1S(C)(=O)=O.
What is the InChIKey of 1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
The InChIKey is VBVGWAMKOSIXDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-11-5-4-8-18-14(11)10-17-9-12-13(16)6-3-7-15(12)21(2,19)20/h3-8,17H,9-10H2,1-2H3.
What are the key properties of 1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine?
1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine has a molecular weight of 324.83 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine is sourced from PubChem (CID 83167952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).