2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline

C13H11Cl2NO3S — CID 43448156

IUPAC2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c(N)c1
InChIInChI=1S/C13H11Cl2NO3S/c1-20(17,18)9-3-5-13(11(16)7-9)19-12-4-2-8(14)6-10(12)15/h2-7H,16H2,1H3
InChIKeyMKBVAOOSPOUYND-UHFFFAOYSA-N
MW332.21 g/mol
LogP3.77
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline

2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline (PubChem CID 43448156) has the molecular formula C13H11Cl2NO3S and a molecular weight of 332.21 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline
PubChem CID43448156
Molecular FormulaC13H11Cl2NO3S
Molecular Weight332.21 g/mol
Exact Mass330.98
IUPAC Name2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline
SMILESCS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c(N)c1
InChIInChI=1S/C13H11Cl2NO3S/c1-20(17,18)9-3-5-13(11(16)7-9)19-12-4-2-8(14)6-10(12)15/h2-7H,16H2,1H3
InChIKeyMKBVAOOSPOUYND-UHFFFAOYSA-N
XLogP3.77
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.21
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-4-(2,4-dichlorophenoxy)-N-methylbenzenesulfonamide
CID 43449278
5-chloro-2-(3-methylsulfonylphenoxy)aniline
CID 43806849
2-[(5-chloro-3-pyridinyl)oxy]-5-methylsulfonylaniline
CID 64602701
5-methylsulfonyl-2-(4-propan-2-ylphenoxy)aniline
CID 43448136
3-amino-4-(2-bromo-4-chlorophenoxy)-N-methylbenzenesulfonamide
CID 43449283
3-amino-4-(2,4-dichlorophenoxy)benzamide
CID 43448525
2-(2-chloro-4-methylsulfonylphenoxy)-4,5-difluorophenol
CID 68843580
4-(2,4-dichlorophenoxy)benzenesulfonamide
CID 43342686
sodium 2-(2-amino-4-chlorophenoxy)-5-chlorobenzenesulfonate
CID 45358016
1-(2-bromo-4-chlorophenoxy)-2,4-bis(methylsulfonyl)benzene
CID 60519600
2-(4-ethylphenoxy)-5-methylsulfonylaniline
CID 43448142
sodium 2-amino-6-chloro-3-(2,4-dichlorophenoxy)benzenesulfonate
CID 126960062

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline?
The IUPAC name of 2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline (CID 43448156) is 2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline is CS(=O)(=O)c1ccc(Oc2ccc(Cl)cc2Cl)c(N)c1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline?
The InChIKey is MKBVAOOSPOUYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2NO3S/c1-20(17,18)9-3-5-13(11(16)7-9)19-12-4-2-8(14)6-10(12)15/h2-7H,16H2,1H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline?
2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline has a molecular weight of 332.21 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-5-methylsulfonylaniline is sourced from PubChem (CID 43448156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).