3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide

C8H8Cl3NO2S — CID 61287690

IUPAC3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
SMILESO=S(=O)(NCCCl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H8Cl3NO2S/c9-1-2-12-15(13,14)8-4-6(10)3-7(11)5-8/h3-5,12H,1-2H2
InChIKeyMOONXZQHLIRJRE-UHFFFAOYSA-N
MW288.58 g/mol
LogP2.51
Rot. Bonds4

About 3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide

3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide (PubChem CID 61287690) has the molecular formula C8H8Cl3NO2S and a molecular weight of 288.58 g/mol. Its IUPAC name is 3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
PubChem CID61287690
Molecular FormulaC8H8Cl3NO2S
Molecular Weight288.58 g/mol
Exact Mass286.93
IUPAC Name3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide
SMILESO=S(=O)(NCCCl)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C8H8Cl3NO2S/c9-1-2-12-15(13,14)8-4-6(10)3-7(11)5-8/h3-5,12H,1-2H2
InChIKeyMOONXZQHLIRJRE-UHFFFAOYSA-N
XLogP2.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.58
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 114008802
N-(3-aminopropyl)-3,5-dichlorobenzenesulfonamide;hydrochloride
CID 119961978
methyl 3-[(3,5-dichlorophenyl)sulfonylamino]propanoate
CID 3874327
5-[(3,5-dichlorophenyl)sulfonylamino]pentanoic acid
CID 62033065
3,5-dichloro-N-[2-(2,4-dimethylphenyl)ethyl]benzenesulfonamide
CID 3669015
N-(3-azidopropyl)-3,5-dichlorobenzenesulfonamide
CID 61343464
3,5-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039490
3,5-dichloro-N-(2-chloroprop-2-enyl)benzenesulfonamide
CID 115638542
3,5-dichloro-N-(cyclopropylmethyl)benzenesulfonamide
CID 2799391
[(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid
CID 67276344
3,5-dichloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43599808
3,5-dichloro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzenesulfonamide
CID 64529701

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide (CID 61287690) is 3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide is O=S(=O)(NCCCl)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide?
The InChIKey is MOONXZQHLIRJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3NO2S/c9-1-2-12-15(13,14)8-4-6(10)3-7(11)5-8/h3-5,12H,1-2H2.
What are the key properties of 3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide?
3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide has a molecular weight of 288.58 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-(2-chloroethyl)benzenesulfonamide is sourced from PubChem (CID 61287690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).