3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide

C10H12Cl3NO3S — CID 65033465

IUPAC3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOCCCl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl3NO3S/c11-3-5-17-6-4-14-18(15,16)8-1-2-9(12)10(13)7-8/h1-2,7,14H,3-6H2
InChIKeyHGPDTKDLCXKMIG-UHFFFAOYSA-N
MW332.64 g/mol
LogP2.53
Rot. Bonds7

About 3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide

3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide (PubChem CID 65033465) has the molecular formula C10H12Cl3NO3S and a molecular weight of 332.64 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
PubChem CID65033465
Molecular FormulaC10H12Cl3NO3S
Molecular Weight332.64 g/mol
Exact Mass330.96
IUPAC Name3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOCCCl)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C10H12Cl3NO3S/c11-3-5-17-6-4-14-18(15,16)8-1-2-9(12)10(13)7-8/h1-2,7,14H,3-6H2
InChIKeyHGPDTKDLCXKMIG-UHFFFAOYSA-N
XLogP2.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.64
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698683
2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033412
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655
N-(2-aminoethyl)-3,4-dichlorobenzenesulfonamide;hydrochloride
CID 119960311
N-(3-aminopropyl)-3,4-dichlorobenzenesulfonamide
CID 28754074
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
3-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzenesulfonamide
CID 62498134
N-[2-[(3,4-dichlorophenyl)methoxy]ethyl]-4-methylbenzenesulfonamide
CID 139969429
2-chloro-4-[2-(2-methoxyethoxy)ethylsulfamoyl]benzoic acid
CID 104654540
3,4-dichloro-N-(2,2-dimethoxyethyl)benzenesulfonamide
CID 3498417
N-(5-bromopentyl)-3,4-dichlorobenzenesulfonamide
CID 107323042
4-chloro-N-(2-ethoxyethyl)-3-nitrobenzenesulfonamide
CID 43591364

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide (CID 65033465) is 3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide is O=S(=O)(NCCOCCCl)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide?
The InChIKey is HGPDTKDLCXKMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3NO3S/c11-3-5-17-6-4-14-18(15,16)8-1-2-9(12)10(13)7-8/h1-2,7,14H,3-6H2.
What are the key properties of 3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide?
3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide has a molecular weight of 332.64 g/mol, XLogP of 2.53, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 65033465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).