3,5-dichloro-4-ethylsulfonylaniline

C8H9Cl2NO2S — CID 106891277

IUPAC3,5-dichloro-4-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C8H9Cl2NO2S/c1-2-14(12,13)8-6(9)3-5(11)4-7(8)10/h3-4H,2,11H2,1H3
InChIKeyFDSIHFSVNPDFPS-UHFFFAOYSA-N
MW254.14 g/mol
LogP2.37
Rot. Bonds2

About 3,5-dichloro-4-ethylsulfonylaniline

3,5-dichloro-4-ethylsulfonylaniline (PubChem CID 106891277) has the molecular formula C8H9Cl2NO2S and a molecular weight of 254.14 g/mol. Its IUPAC name is 3,5-dichloro-4-ethylsulfonylaniline.

Molecular Properties

Compound Name3,5-dichloro-4-ethylsulfonylaniline
PubChem CID106891277
Molecular FormulaC8H9Cl2NO2S
Molecular Weight254.14 g/mol
Exact Mass252.97
IUPAC Name3,5-dichloro-4-ethylsulfonylaniline
SMILESCCS(=O)(=O)c1c(Cl)cc(N)cc1Cl
InChIInChI=1S/C8H9Cl2NO2S/c1-2-14(12,13)8-6(9)3-5(11)4-7(8)10/h3-4H,2,11H2,1H3
InChIKeyFDSIHFSVNPDFPS-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2,6-dichloro-N-(2-ethoxyethyl)benzenesulfonamide
CID 43590962
4-amino-2,6-dichloro-N-(2-ethoxyethyl)-N-methylbenzenesulfonamide
CID 81052803
4-amino-2,6-dichloro-N-(2-ethoxy-2-methylpropyl)benzenesulfonamide
CID 114940424
4-amino-2,6-dichloro-N-[(2S)-1-hydroxybutan-2-yl]benzenesulfonamide
CID 93081169
4-amino-2,6-dichloro-N-(2-methylsulfanylethyl)benzenesulfonamide
CID 63981794
4-amino-2,6-dichloro-N-ethyl-N-(2-methylbutyl)benzenesulfonamide
CID 79478104
3-chloro-4,5-diethoxyaniline
CID 13335752
4-amino-2,6-dichloro-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 43257027
3-[(4-amino-2,6-dichlorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 61126649
4-amino-2,6-dichloro-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide
CID 60983932
methyl 2-[(4-amino-2,6-dichlorophenyl)sulfonylamino]acetate
CID 43257166
3,5-dichloro-4-(4-propan-2-ylpiperidin-1-yl)sulfonylaniline
CID 103504991

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-ethylsulfonylaniline?
The IUPAC name of 3,5-dichloro-4-ethylsulfonylaniline (CID 106891277) is 3,5-dichloro-4-ethylsulfonylaniline.
What is the SMILES notation for 3,5-dichloro-4-ethylsulfonylaniline?
The canonical SMILES for 3,5-dichloro-4-ethylsulfonylaniline is CCS(=O)(=O)c1c(Cl)cc(N)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-ethylsulfonylaniline?
The InChIKey is FDSIHFSVNPDFPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S/c1-2-14(12,13)8-6(9)3-5(11)4-7(8)10/h3-4H,2,11H2,1H3.
What are the key properties of 3,5-dichloro-4-ethylsulfonylaniline?
3,5-dichloro-4-ethylsulfonylaniline has a molecular weight of 254.14 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-ethylsulfonylaniline is sourced from PubChem (CID 106891277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).