N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine

C13H13ClN2O2S — CID 43675273

IUPACN-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCc2cccc(Cl)c2)cn1
InChIInChI=1S/C13H13ClN2O2S/c1-19(17,18)13-6-5-12(9-16-13)15-8-10-3-2-4-11(14)7-10/h2-7,9,15H,8H2,1H3
InChIKeyYBZZFCUZKKGQNI-UHFFFAOYSA-N
MW296.78 g/mol
LogP2.75
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine

N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine (PubChem CID 43675273) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
PubChem CID43675273
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCc2cccc(Cl)c2)cn1
InChIInChI=1S/C13H13ClN2O2S/c1-19(17,18)13-6-5-12(9-16-13)15-8-10-3-2-4-11(14)7-10/h2-7,9,15H,8H2,1H3
InChIKeyYBZZFCUZKKGQNI-UHFFFAOYSA-N
XLogP2.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 52.75
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-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675178
6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine
CID 43675225
5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine
CID 155130266
2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol
CID 43675306
6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 133373480
N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 104624412
N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 63668057
N-[(1-ethylpyrazol-4-yl)methyl]-6-methylsulfonylpyridin-3-amine
CID 103930510
4-[(3-chlorophenyl)methylamino]phenol
CID 18778399
N-[(6-methoxy-2-pyridinyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 103347471
3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide
CID 133373609

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine (CID 43675273) is N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine is CS(=O)(=O)c1ccc(NCc2cccc(Cl)c2)cn1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
The InChIKey is YBZZFCUZKKGQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-19(17,18)13-6-5-12(9-16-13)15-8-10-3-2-4-11(14)7-10/h2-7,9,15H,8H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine has a molecular weight of 296.78 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 43675273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).