2-chloro-5-(1-chloroethylsulfonyl)aniline

C8H9Cl2NO2S — CID 22411872

IUPAC2-chloro-5-(1-chloroethylsulfonyl)aniline
SMILESCC(Cl)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C8H9Cl2NO2S/c1-5(9)14(12,13)6-2-3-7(10)8(11)4-6/h2-5H,11H2,1H3
InChIKeyLOELLWROJAWSDL-UHFFFAOYSA-N
MW254.14 g/mol
LogP2.28
Rot. Bonds2

About 2-chloro-5-(1-chloroethylsulfonyl)aniline

2-chloro-5-(1-chloroethylsulfonyl)aniline (PubChem CID 22411872) has the molecular formula C8H9Cl2NO2S and a molecular weight of 254.14 g/mol. Its IUPAC name is 2-chloro-5-(1-chloroethylsulfonyl)aniline.

Molecular Properties

Compound Name2-chloro-5-(1-chloroethylsulfonyl)aniline
PubChem CID22411872
Molecular FormulaC8H9Cl2NO2S
Molecular Weight254.14 g/mol
Exact Mass252.97
IUPAC Name2-chloro-5-(1-chloroethylsulfonyl)aniline
SMILESCC(Cl)S(=O)(=O)c1ccc(Cl)c(N)c1
InChIInChI=1S/C8H9Cl2NO2S/c1-5(9)14(12,13)6-2-3-7(10)8(11)4-6/h2-5H,11H2,1H3
InChIKeyLOELLWROJAWSDL-UHFFFAOYSA-N
XLogP2.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-(difluoromethylsulfonyl)aniline
CID 825468
3-amino-4-chloro-N-(3-methylbutyl)benzenesulfonamide
CID 29267246
3-amino-4-chloro-N-methyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 43569761
2-chloro-5-(trifluoromethylsulfonyl)aniline;ethane
CID 143086090
3-amino-4-chloro-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43264640
3-amino-4-chloro-N-(3-hydroxybutyl)benzenesulfonamide
CID 53409667
3-amino-4-chloro-N-[2-(dimethylamino)ethyl]-N-(2-methylpropyl)benzenesulfonamide
CID 61138875
3-amino-4-chloro-N-(5-methylhexyl)benzenesulfonamide
CID 115324593
3-amino-4-chloro-N-(2,4,6-trichlorophenyl)benzenesulfonamide
CID 28992287
1-(4-chloro-3-methylphenyl)sulfonylethanamine
CID 117036191
methyl 2-[(3-amino-4-chlorophenyl)sulfonylamino]-3-methylbutanoate
CID 43452042
3-amino-4-chloro-N-dodecylbenzenesulfonamide
CID 5086420

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-chloroethylsulfonyl)aniline?
The IUPAC name of 2-chloro-5-(1-chloroethylsulfonyl)aniline (CID 22411872) is 2-chloro-5-(1-chloroethylsulfonyl)aniline.
What is the SMILES notation for 2-chloro-5-(1-chloroethylsulfonyl)aniline?
The canonical SMILES for 2-chloro-5-(1-chloroethylsulfonyl)aniline is CC(Cl)S(=O)(=O)c1ccc(Cl)c(N)c1.
What is the InChIKey of 2-chloro-5-(1-chloroethylsulfonyl)aniline?
The InChIKey is LOELLWROJAWSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S/c1-5(9)14(12,13)6-2-3-7(10)8(11)4-6/h2-5H,11H2,1H3.
What are the key properties of 2-chloro-5-(1-chloroethylsulfonyl)aniline?
2-chloro-5-(1-chloroethylsulfonyl)aniline has a molecular weight of 254.14 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1-chloroethylsulfonyl)aniline is sourced from PubChem (CID 22411872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).