N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine

C13H12Cl2N2O2S — CID 43675178

IUPACN-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C13H12Cl2N2O2S/c1-20(18,19)13-5-3-10(8-17-13)16-7-9-2-4-11(14)12(15)6-9/h2-6,8,16H,7H2,1H3
InChIKeyCGOBDZRFAABWOM-UHFFFAOYSA-N
MW331.22 g/mol
LogP3.40
Rot. Bonds4

About N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine

N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine (PubChem CID 43675178) has the molecular formula C13H12Cl2N2O2S and a molecular weight of 331.22 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
PubChem CID43675178
Molecular FormulaC13H12Cl2N2O2S
Molecular Weight331.22 g/mol
Exact Mass330.00
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCc2ccc(Cl)c(Cl)c2)cn1
InChIInChI=1S/C13H12Cl2N2O2S/c1-20(18,19)13-5-3-10(8-17-13)16-7-9-2-4-11(14)12(15)6-9/h2-6,8,16H,7H2,1H3
InChIKeyCGOBDZRFAABWOM-UHFFFAOYSA-N
XLogP3.40
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 60788811
N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675273
6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine
CID 43675225
4-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]benzonitrile
CID 43675232
N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 104624412
2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol
CID 43675306
N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 103930510
N-methyl-6-methylsulfonylpyridin-3-amine
CID 63091077
N-[(5-ethylthiophen-2-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 55062602
6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
CID 62473129
N-[(3,4-dichlorophenyl)methyl]-1-(4-methylsulfonylphenyl)methanamine
CID 48563474
N-(2-ethylbutyl)-6-methylsulfonylpyridin-3-amine
CID 43675220

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine (CID 43675178) is N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine is CS(=O)(=O)c1ccc(NCc2ccc(Cl)c(Cl)c2)cn1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
The InChIKey is CGOBDZRFAABWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O2S/c1-20(18,19)13-5-3-10(8-17-13)16-7-9-2-4-11(14)12(15)6-9/h2-6,8,16H,7H2,1H3.
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine has a molecular weight of 331.22 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 43675178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).