N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine

C15H17ClN2O2S — CID 83168922

IUPACN-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCCc1ccccn1
InChIInChI=1S/C15H17ClN2O2S/c1-21(19,20)15-7-4-6-14(16)13(15)11-17-10-8-12-5-2-3-9-18-12/h2-7,9,17H,8,10-11H2,1H3
InChIKeyDRPMJMIPMMZZKQ-UHFFFAOYSA-N
MW324.83 g/mol
LogP2.47
Rot. Bonds6

About N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine

N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine (PubChem CID 83168922) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine
PubChem CID83168922
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine
SMILESCS(=O)(=O)c1cccc(Cl)c1CNCCc1ccccn1
InChIInChI=1S/C15H17ClN2O2S/c1-21(19,20)15-7-4-6-14(16)13(15)11-17-10-8-12-5-2-3-9-18-12/h2-7,9,17H,8,10-11H2,1H3
InChIKeyDRPMJMIPMMZZKQ-UHFFFAOYSA-N
XLogP2.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(4-methyl-2-pyridinyl)methanamine
CID 167982227
N-[2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl]methanesulfonamide
CID 83170984
1-(2-chloro-6-methylsulfonylphenyl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 83167952
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethanesulfonamide
CID 83170434
2,3-dichloro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 47104213
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-1-(6-methyl-2-pyridinyl)methanamine
CID 83169313
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-methylethanesulfonamide
CID 102674823
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]-N-ethylethanesulfonamide
CID 104589776
2-[(2-chloro-6-methylsulfonylphenyl)methylamino]ethyl carbamate
CID 83209467
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-piperidin-1-ylethanamine
CID 83168945
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-3-ethenoxypropan-1-amine
CID 83170748
1-(2-chloro-6-methylsulfonylphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 104589813

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine (CID 83168922) is N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine is CS(=O)(=O)c1cccc(Cl)c1CNCCc1ccccn1.
What is the InChIKey of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine?
The InChIKey is DRPMJMIPMMZZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-21(19,20)15-7-4-6-14(16)13(15)11-17-10-8-12-5-2-3-9-18-12/h2-7,9,17H,8,10-11H2,1H3.
What are the key properties of N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine?
N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine has a molecular weight of 324.83 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methylsulfonylphenyl)methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 83168922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).