N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine

C13H12BrClN2O2S — CID 104624412

IUPACN-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCc2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C13H12BrClN2O2S/c1-20(18,19)13-5-4-11(8-17-13)16-7-9-2-3-10(14)6-12(9)15/h2-6,8,16H,7H2,1H3
InChIKeyMOXHGSQWEZYMJF-UHFFFAOYSA-N
MW375.68 g/mol
LogP3.51
Rot. Bonds4

About N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine

N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine (PubChem CID 104624412) has the molecular formula C13H12BrClN2O2S and a molecular weight of 375.68 g/mol. Its IUPAC name is N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine.

Molecular Properties

Compound NameN-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
PubChem CID104624412
Molecular FormulaC13H12BrClN2O2S
Molecular Weight375.68 g/mol
Exact Mass373.95
IUPAC NameN-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
SMILESCS(=O)(=O)c1ccc(NCc2ccc(Br)cc2Cl)cn1
InChIInChI=1S/C13H12BrClN2O2S/c1-20(18,19)13-5-4-11(8-17-13)16-7-9-2-3-10(14)6-12(9)15/h2-6,8,16H,7H2,1H3
InChIKeyMOXHGSQWEZYMJF-UHFFFAOYSA-N
XLogP3.51
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol
CID 43675306
N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675178
N-[(3,5-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 60788811
N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675273
6-methylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pyridin-3-amine
CID 62473129
N-[(2,3-difluorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 63668057
6-methylsulfonyl-N-[(4-propan-2-ylphenyl)methyl]pyridin-3-amine
CID 43675225
5-[(4-bromo-2-chlorophenyl)methylamino]-2-methylphenol
CID 107699880
N-[(4-bromo-2-chlorophenyl)methyl]-4-(2-methoxyethoxy)aniline
CID 115652567
4-[(4-bromo-2-chlorophenyl)methylamino]-2,6-dichlorophenol
CID 107678962
N-[(4-bromo-2-chlorophenyl)methyl]-3-fluoro-5-methylaniline
CID 113470978
N-(2,3-dihydro-1H-indol-7-ylmethyl)-6-methylsulfonylpyridin-3-amine
CID 80649324

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
The IUPAC name of N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine (CID 104624412) is N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine.
What is the SMILES notation for N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
The canonical SMILES for N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine is CS(=O)(=O)c1ccc(NCc2ccc(Br)cc2Cl)cn1.
What is the InChIKey of N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
The InChIKey is MOXHGSQWEZYMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrClN2O2S/c1-20(18,19)13-5-4-11(8-17-13)16-7-9-2-3-10(14)6-12(9)15/h2-6,8,16H,7H2,1H3.
What are the key properties of N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine?
N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine has a molecular weight of 375.68 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine is sourced from PubChem (CID 104624412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).