2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol

C13H12Cl2N2O3S — CID 43675306

IUPAC2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol
SMILESCS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cn1
InChIInChI=1S/C13H12Cl2N2O3S/c1-21(19,20)12-3-2-10(7-17-12)16-6-8-4-9(14)5-11(15)13(8)18/h2-5,7,16,18H,6H2,1H3
InChIKeyRIBXVPHMKZFZJY-UHFFFAOYSA-N
MW347.22 g/mol
LogP3.11
Rot. Bonds4

About 2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol

2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol (PubChem CID 43675306) has the molecular formula C13H12Cl2N2O3S and a molecular weight of 347.22 g/mol. Its IUPAC name is 2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol.

Molecular Properties

Compound Name2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol
PubChem CID43675306
Molecular FormulaC13H12Cl2N2O3S
Molecular Weight347.22 g/mol
Exact Mass345.99
IUPAC Name2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol
SMILESCS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cn1
InChIInChI=1S/C13H12Cl2N2O3S/c1-21(19,20)12-3-2-10(7-17-12)16-6-8-4-9(14)5-11(15)13(8)18/h2-5,7,16,18H,6H2,1H3
InChIKeyRIBXVPHMKZFZJY-UHFFFAOYSA-N
XLogP3.11
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.22
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(3,5-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 60788811
N-[(4-bromo-2-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 104624412
N-[(3,4-dichlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675178
N-[(3-chlorophenyl)methyl]-6-methylsulfonylpyridin-3-amine
CID 43675273
2,4-dichloro-6-[(pyrimidin-5-ylamino)methyl]phenol
CID 107588088
2,4-dichloro-6-[(4-fluoro-3-methylanilino)methyl]phenol
CID 55119072
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
3,5-dichloro-N-(6-chloro-3-pyridinyl)-2-hydroxybenzenesulfonamide
CID 74227839
methyl (E)-3-[4-[(3,5-dichloro-2-hydroxyphenyl)methylamino]phenyl]prop-2-enoate
CID 127051723
2,4-dichloro-6-[[(1-propan-2-ylpyrazol-4-yl)amino]methyl]phenol
CID 55131244

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol?
The IUPAC name of 2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol (CID 43675306) is 2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol.
What is the SMILES notation for 2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol?
The canonical SMILES for 2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol is CS(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cn1.
What is the InChIKey of 2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol?
The InChIKey is RIBXVPHMKZFZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2O3S/c1-21(19,20)12-3-2-10(7-17-12)16-6-8-4-9(14)5-11(15)13(8)18/h2-5,7,16,18H,6H2,1H3.
What are the key properties of 2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol?
2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol has a molecular weight of 347.22 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[[(6-methylsulfonyl-3-pyridinyl)amino]methyl]phenol is sourced from PubChem (CID 43675306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).