3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide

C10H13Cl2NO4S — CID 60801262

IUPAC3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide
SMILESCCOCCOc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C10H13Cl2NO4S/c1-2-16-3-4-17-10-8(11)5-7(6-9(10)12)18(13,14)15/h5-6H,2-4H2,1H3,(H2,13,14,15)
InChIKeyVJFNTIXMWZKMCL-UHFFFAOYSA-N
MW314.19 g/mol
LogP2.06
Rot. Bonds6

About 3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide

3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide (PubChem CID 60801262) has the molecular formula C10H13Cl2NO4S and a molecular weight of 314.19 g/mol. Its IUPAC name is 3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound Name3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide
PubChem CID60801262
Molecular FormulaC10H13Cl2NO4S
Molecular Weight314.19 g/mol
Exact Mass312.99
IUPAC Name3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide
SMILESCCOCCOc1c(Cl)cc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C10H13Cl2NO4S/c1-2-16-3-4-17-10-8(11)5-7(6-9(10)12)18(13,14)15/h5-6H,2-4H2,1H3,(H2,13,14,15)
InChIKeyVJFNTIXMWZKMCL-UHFFFAOYSA-N
XLogP2.06
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,5-dichloro-4-[2-(2-methylimidazol-1-yl)ethoxy]benzenesulfonamide
CID 82917892
4-amino-3-(2-ethoxyethoxy)benzenesulfonamide
CID 82900278
3,5-dichloro-4-(4,4-dimethylpent-2-ynoxy)benzenesulfonamide
CID 114190036
4-(2-butoxyethoxy)-3,5-difluorobenzenesulfonamide
CID 81267946
4-(2-ethoxyethoxy)-3-fluorobenzenesulfonamide
CID 43457341
3,5-dichloro-4-(2-ethylsulfonylethoxy)benzenesulfonyl chloride
CID 61057811
3,5-dichloro-4-[(Z)-2,3-dichloroprop-2-enoxy]benzenesulfonamide
CID 82915373
3,5-dichloro-4-hexoxybenzenesulfonyl chloride
CID 60802122
methyl 5-amino-3-chloro-2-(2-ethoxyethoxy)benzoate
CID 107197296
3,5-dichloro-4-[(1-methylpyrazol-4-yl)methoxy]benzenesulfonamide
CID 62127983
3,5-dibromo-4-(3-ethoxypropoxy)benzenesulfonyl chloride
CID 65176689
3-chloro-5-ethyl-4-methylbenzenesulfonamide
CID 174477072

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide?
The IUPAC name of 3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide (CID 60801262) is 3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide.
What is the SMILES notation for 3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide?
The canonical SMILES for 3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide is CCOCCOc1c(Cl)cc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide?
The InChIKey is VJFNTIXMWZKMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO4S/c1-2-16-3-4-17-10-8(11)5-7(6-9(10)12)18(13,14)15/h5-6H,2-4H2,1H3,(H2,13,14,15).
What are the key properties of 3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide?
3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide has a molecular weight of 314.19 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-(2-ethoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 60801262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).