5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine

C14H15ClN2O3S — CID 62885480

IUPAC5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine
SMILESCNc1ccc(Cl)c(COc2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C14H15ClN2O3S/c1-16-14-7-6-12(15)13(17-14)9-20-10-4-3-5-11(8-10)21(2,18)19/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyBCMKFODFXAERSQ-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.76
Rot. Bonds5

About 5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine

5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine (PubChem CID 62885480) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine
PubChem CID62885480
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine
SMILESCNc1ccc(Cl)c(COc2cccc(S(C)(=O)=O)c2)n1
InChIInChI=1S/C14H15ClN2O3S/c1-16-14-7-6-12(15)13(17-14)9-20-10-4-3-5-11(8-10)21(2,18)19/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyBCMKFODFXAERSQ-UHFFFAOYSA-N
XLogP2.76
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.81
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3-bromophenoxy)methyl]-5-chloro-N-methylpyridin-2-amine
CID 62886325
5-chloro-6-[(4-chloro-3-ethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 63486730
5-chloro-6-[(4-methoxyphenoxy)methyl]-N-methylpyridin-2-amine
CID 62885465
3-chloro-2-[(3-methylsulfonylphenoxy)methyl]aniline
CID 63746458
5-chloro-N-methyl-6-[(2,4,6-trichlorophenoxy)methyl]pyridin-2-amine
CID 63487402
4-chloro-2-[(3-methylsulfonylphenoxy)methyl]pyridine
CID 79244238
5-chloro-6-(methoxymethyl)-N-methylpyridin-2-amine
CID 62886675
N-methyl-1-[2-[(3-methylsulfonylphenoxy)methyl]phenyl]methanamine
CID 62486836
[2-[(3-methylsulfonylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259849
1-(fluoromethoxy)-3-methylsulfonylbenzene
CID 68604841
N-methyl-1-[5-[(3-methylsulfonylphenoxy)methyl]furan-2-yl]methanamine
CID 62484331
N-ethyl-5-[(3-methylsulfonylphenoxy)methyl]-1,3,4-thiadiazol-2-amine
CID 80614228

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine (CID 62885480) is 5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine is CNc1ccc(Cl)c(COc2cccc(S(C)(=O)=O)c2)n1.
What is the InChIKey of 5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine?
The InChIKey is BCMKFODFXAERSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-16-14-7-6-12(15)13(17-14)9-20-10-4-3-5-11(8-10)21(2,18)19/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of 5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine?
5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine has a molecular weight of 326.81 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-6-[(3-methylsulfonylphenoxy)methyl]pyridin-2-amine is sourced from PubChem (CID 62885480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).