2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline

C12H11ClN2O3S — CID 64602701

IUPAC2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(Oc2cncc(Cl)c2)c(N)c1
InChIInChI=1S/C12H11ClN2O3S/c1-19(16,17)10-2-3-12(11(14)5-10)18-9-4-8(13)6-15-7-9/h2-7H,14H2,1H3
InChIKeyWCOSJZYNEXXNDB-UHFFFAOYSA-N
MW298.75 g/mol
LogP2.51
Rot. Bonds3

About 2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline

2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline (PubChem CID 64602701) has the molecular formula C12H11ClN2O3S and a molecular weight of 298.75 g/mol. Its IUPAC name is 2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline.

Molecular Properties

Compound Name2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline
PubChem CID64602701
Molecular FormulaC12H11ClN2O3S
Molecular Weight298.75 g/mol
Exact Mass298.02
IUPAC Name2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(Oc2cncc(Cl)c2)c(N)c1
InChIInChI=1S/C12H11ClN2O3S/c1-19(16,17)10-2-3-12(11(14)5-10)18-9-4-8(13)6-15-7-9/h2-7H,14H2,1H3
InChIKeyWCOSJZYNEXXNDB-UHFFFAOYSA-N
XLogP2.51
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.75
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline
CID 43448156
5-methylsulfonyl-2-(4-propan-2-ylphenoxy)aniline
CID 43448136
3-amino-4-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzamide
CID 83000242
5-chloro-2-(3-methylsulfonylphenoxy)aniline
CID 43806849
2-(4-ethylphenoxy)-5-methylsulfonylaniline
CID 43448142
5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide
CID 103287831
5-methylsulfonyl-2-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800505
5-methylsulfonyl-2-[4-(trifluoromethoxy)phenoxy]aniline
CID 167530156
5-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzaldehyde
CID 114844935
3-[(5-chloro-3-pyridinyl)oxy]-6-methylsulfonylpyridazine
CID 134124952
3-amino-N,N-dimethyl-4-pyridin-3-yloxybenzenesulfonamide
CID 43162717
3-chloro-5-(2-chloro-4-methylphenoxy)pyridine
CID 143108341

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline?
The IUPAC name of 2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline (CID 64602701) is 2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline.
What is the SMILES notation for 2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline?
The canonical SMILES for 2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline is CS(=O)(=O)c1ccc(Oc2cncc(Cl)c2)c(N)c1.
What is the InChIKey of 2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline?
The InChIKey is WCOSJZYNEXXNDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3S/c1-19(16,17)10-2-3-12(11(14)5-10)18-9-4-8(13)6-15-7-9/h2-7H,14H2,1H3.
What are the key properties of 2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline?
2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline has a molecular weight of 298.75 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline is sourced from PubChem (CID 64602701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).