2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline

C14H15ClN2O3S — CID 103347490

IUPAC2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline
SMILESCOc1cccc(CNc2cc(S(C)(=O)=O)ccc2Cl)n1
InChIInChI=1S/C14H15ClN2O3S/c1-20-14-5-3-4-10(17-14)9-16-13-8-11(21(2,18)19)6-7-12(13)15/h3-8,16H,9H2,1-2H3
InChIKeyBSCDPSFRVTYDEV-UHFFFAOYSA-N
MW326.81 g/mol
LogP2.76
Rot. Bonds5

About 2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline

2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline (PubChem CID 103347490) has the molecular formula C14H15ClN2O3S and a molecular weight of 326.81 g/mol. Its IUPAC name is 2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline.

Molecular Properties

Compound Name2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline
PubChem CID103347490
Molecular FormulaC14H15ClN2O3S
Molecular Weight326.81 g/mol
Exact Mass326.05
IUPAC Name2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline
SMILESCOc1cccc(CNc2cc(S(C)(=O)=O)ccc2Cl)n1
InChIInChI=1S/C14H15ClN2O3S/c1-20-14-5-3-4-10(17-14)9-16-13-8-11(21(2,18)19)6-7-12(13)15/h3-8,16H,9H2,1-2H3
InChIKeyBSCDPSFRVTYDEV-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

3,4-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63993150
2,6-dichloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 65468810
2-bromo-3-chloro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 103478301
2-chloro-N-[(5-methyl-2-pyridinyl)methyl]-5-methylsulfonylaniline
CID 81311269
2-chloro-N-[(2-chlorophenyl)methyl]-5-methylsulfonylaniline
CID 43682068
5-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-2-methylaniline
CID 63993319
2-chloro-N-[(3-methylphenyl)methyl]-5-methylsulfonylaniline
CID 43682081
4-chloro-2-fluoro-N-[(6-methoxy-2-pyridinyl)methyl]aniline
CID 63985866
N-[(6-bromo-2-pyridinyl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 115937982
2-chloro-N-[(3-fluorophenyl)methyl]-5-methylsulfonylaniline
CID 43682077
N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 103347471
2-chloro-N-[(4-methylphenyl)methyl]-5-methylsulfonylaniline
CID 43682080

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline?
The IUPAC name of 2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline (CID 103347490) is 2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline.
What is the SMILES notation for 2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline?
The canonical SMILES for 2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline is COc1cccc(CNc2cc(S(C)(=O)=O)ccc2Cl)n1.
What is the InChIKey of 2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline?
The InChIKey is BSCDPSFRVTYDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3S/c1-20-14-5-3-4-10(17-14)9-16-13-8-11(21(2,18)19)6-7-12(13)15/h3-8,16H,9H2,1-2H3.
What are the key properties of 2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline?
2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline 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 2-chloro-N-[(6-methoxy-2-pyridinyl)methyl]-5-methylsulfonylaniline is sourced from PubChem (CID 103347490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).