3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide

C12H18ClNO5S — CID 103410565

IUPAC3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide
SMILESCOCCOCCCOc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H18ClNO5S/c1-17-7-8-18-5-2-6-19-12-4-3-10(9-11(12)13)20(14,15)16/h3-4,9H,2,5-8H2,1H3,(H2,14,15,16)
InChIKeyFTKHQJTYZZUFGS-UHFFFAOYSA-N
MW323.80 g/mol
LogP1.42
Rot. Bonds9

About 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide

3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide (PubChem CID 103410565) has the molecular formula C12H18ClNO5S and a molecular weight of 323.80 g/mol. Its IUPAC name is 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide
PubChem CID103410565
Molecular FormulaC12H18ClNO5S
Molecular Weight323.80 g/mol
Exact Mass323.06
IUPAC Name3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide
SMILESCOCCOCCCOc1ccc(S(N)(=O)=O)cc1Cl
InChIInChI=1S/C12H18ClNO5S/c1-17-7-8-18-5-2-6-19-12-4-3-10(9-11(12)13)20(14,15)16/h3-4,9H,2,5-8H2,1H3,(H2,14,15,16)
InChIKeyFTKHQJTYZZUFGS-UHFFFAOYSA-N
XLogP1.42
TPSA87.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-4-(3,3-dimethylbutoxy)benzenesulfonamide
CID 61481232
3-bromo-4-[2-(3-methoxypropoxy)ethoxy]benzenesulfonyl chloride
CID 103178240
3-chloro-4-(3-methylbut-3-enoxy)benzenesulfonamide
CID 114473013
4-(2-tert-butylsulfonylethoxy)-3-chlorobenzenesulfonamide
CID 106726844
tert-butyl 16-(2-chloro-4-sulfamoylphenoxy)hexadecanoate
CID 170650786
3-(2-chloro-4-sulfamoylphenoxy)-N-cyclopropylpropanamide
CID 82921576
1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]-N-methylmethanamine
CID 103409031
(1S)-1-[3-chloro-4-[3-(2-methoxyethoxy)propoxy]phenyl]ethanol
CID 103410329
3-chloro-4-(2-propoxyethoxy)benzenesulfonyl chloride
CID 106450996
4-[2-(3-methoxypropoxy)ethoxy]-3-methylbenzenesulfonyl chloride
CID 103178206
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenecarboximidamide
CID 103402785
4-[2-(3-methoxypropoxy)ethoxy]-2,3-dimethylbenzenesulfonamide
CID 103180943

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide?
The IUPAC name of 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide (CID 103410565) is 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide.
What is the SMILES notation for 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide?
The canonical SMILES for 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide is COCCOCCCOc1ccc(S(N)(=O)=O)cc1Cl.
What is the InChIKey of 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide?
The InChIKey is FTKHQJTYZZUFGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClNO5S/c1-17-7-8-18-5-2-6-19-12-4-3-10(9-11(12)13)20(14,15)16/h3-4,9H,2,5-8H2,1H3,(H2,14,15,16).
What are the key properties of 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide?
3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide has a molecular weight of 323.80 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[3-(2-methoxyethoxy)propoxy]benzenesulfonamide is sourced from PubChem (CID 103410565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).