[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine

C14H15ClN2O2S — CID 103291310

IUPAC[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1CS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H15ClN2O2S/c15-13-6-2-1-4-11(13)9-20(18,19)10-12-5-3-7-17-14(12)8-16/h1-7H,8-10,16H2
InChIKeyDGMHHNHWXFWROP-UHFFFAOYSA-N
MW310.81 g/mol
LogP2.31
Rot. Bonds5

About [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine

[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine (PubChem CID 103291310) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine
PubChem CID103291310
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC Name[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine
SMILESNCc1ncccc1CS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C14H15ClN2O2S/c15-13-6-2-1-4-11(13)9-20(18,19)10-12-5-3-7-17-14(12)8-16/h1-7H,8-10,16H2
InChIKeyDGMHHNHWXFWROP-UHFFFAOYSA-N
XLogP2.31
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine
CID 107120185
(3-chloro-2-pyridinyl)methanamine;hydrochloride
CID 86346205
1-(2-chlorophenyl)-N-(pyridin-2-ylmethyl)methanesulfonamide
CID 2988708
1-chloro-2-(2-chloroethylsulfonylmethyl)benzene
CID 103288106
[3-(oxan-4-ylsulfonylmethyl)-2-pyridinyl]methanamine
CID 64698078
[3-[(2,4-dimethylphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64699397
[3-[(2,5-difluorophenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64698646
[3-[(2-chloro-6-fluorophenoxy)methyl]-2-pyridinyl]methanamine
CID 83050664
2-[(2-chlorophenyl)methoxy]pyridine-3-sulfonyl chloride
CID 112572936
N-(2-aminoethyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
CID 103291290
2-[(2-chlorophenyl)methylsulfonylmethyl]-4-fluoroaniline
CID 103288816
[3-[(3-methoxyphenyl)sulfonylmethyl]-2-pyridinyl]methanamine
CID 64697383

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine?
The IUPAC name of [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine (CID 103291310) is [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine.
What is the SMILES notation for [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine?
The canonical SMILES for [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine is NCc1ncccc1CS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine?
The InChIKey is DGMHHNHWXFWROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c15-13-6-2-1-4-11(13)9-20(18,19)10-12-5-3-7-17-14(12)8-16/h1-7H,8-10,16H2.
What are the key properties of [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine?
[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine has a molecular weight of 310.81 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chlorophenyl)methylsulfonylmethyl]-2-pyridinyl]methanamine is sourced from PubChem (CID 103291310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).