2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide

C10H12Cl3NO3S — CID 65033412

IUPAC2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOCCCl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl3NO3S/c11-3-5-17-6-4-14-18(15,16)10-7-8(12)1-2-9(10)13/h1-2,7,14H,3-6H2
InChIKeyDAIMGCYMWMLCKC-UHFFFAOYSA-N
MW332.64 g/mol
LogP2.53
Rot. Bonds7

About 2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide

2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide (PubChem CID 65033412) has the molecular formula C10H12Cl3NO3S and a molecular weight of 332.64 g/mol. Its IUPAC name is 2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
PubChem CID65033412
Molecular FormulaC10H12Cl3NO3S
Molecular Weight332.64 g/mol
Exact Mass330.96
IUPAC Name2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCOCCCl)c1cc(Cl)ccc1Cl
InChIInChI=1S/C10H12Cl3NO3S/c11-3-5-17-6-4-14-18(15,16)10-7-8(12)1-2-9(10)13/h1-2,7,14H,3-6H2
InChIKeyDAIMGCYMWMLCKC-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

2,5-dichloro-N-(6-chlorohexyl)benzenesulfonamide
CID 107849099
3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033465
N-(3-aminopropyl)-2,5-dichlorobenzenesulfonamide;hydrochloride
CID 119962044
N-(3-bromopropyl)-2,5-dichlorobenzenesulfonamide
CID 43167077
2,5-dichloro-N-(3-chloro-4-methoxybutyl)benzenesulfonamide
CID 114163434
N-[3-(2-chloroethoxy)propyl]-2,5-difluorobenzenesulfonamide
CID 106305837
2,4-dichloro-N-(2-methoxyethyl)benzenesulfonamide
CID 15943940
2-[(2,5-dichlorophenyl)sulfonylamino]ethanethioamide
CID 61127500
2,5-dichloro-N-(2,5-dichlorophenyl)sulfonylbenzenesulfonamide
CID 121010955
2-chloro-N-[2-(2-methoxyethoxy)ethyl]-5-(trifluoromethyl)benzenesulfonamide
CID 86989290
4-[(2,5-dichlorophenyl)sulfonylamino]butanethioamide
CID 62668104
2,5-dichloro-N-(2-piperidin-1-ylethyl)benzenesulfonamide
CID 25037231

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide (CID 65033412) is 2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide is O=S(=O)(NCCOCCCl)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide?
The InChIKey is DAIMGCYMWMLCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3NO3S/c11-3-5-17-6-4-14-18(15,16)10-7-8(12)1-2-9(10)13/h1-2,7,14H,3-6H2.
What are the key properties of 2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide?
2,5-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 2,5-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 65033412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).