5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide

C11H16ClNO4S — CID 65180427

IUPAC5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide
SMILESCCOCCCOc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C11H16ClNO4S/c1-2-16-6-3-7-17-10-5-4-9(12)8-11(10)18(13,14)15/h4-5,8H,2-3,6-7H2,1H3,(H2,13,14,15)
InChIKeyXXZFNQMWCAMPNC-UHFFFAOYSA-N
MW293.77 g/mol
LogP1.79
Rot. Bonds7

About 5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide

5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide (PubChem CID 65180427) has the molecular formula C11H16ClNO4S and a molecular weight of 293.77 g/mol. Its IUPAC name is 5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide
PubChem CID65180427
Molecular FormulaC11H16ClNO4S
Molecular Weight293.77 g/mol
Exact Mass293.05
IUPAC Name5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide
SMILESCCOCCCOc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C11H16ClNO4S/c1-2-16-6-3-7-17-10-5-4-9(12)8-11(10)18(13,14)15/h4-5,8H,2-3,6-7H2,1H3,(H2,13,14,15)
InChIKeyXXZFNQMWCAMPNC-UHFFFAOYSA-N
XLogP1.79
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.77
LogP ≤ 51.79
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

2-butoxy-5-chlorobenzenesulfonamide
CID 62103523
5-chloro-2-(4-cyano-4-methylpentoxy)benzenesulfonamide
CID 82914643
5-chloro-2-(3,3,3-trifluoropropoxy)benzenesulfonamide
CID 64567349
2-(4-chloro-2-sulfamoylphenoxy)-N,N-diethylacetamide
CID 82915390
2-(2-ethoxyethoxy)-5-methylbenzenesulfonamide
CID 43457343
1,4-dichloro-2-(3-ethoxypropoxy)benzene
CID 79005556
methyl 2-(4-chloro-2-sulfamoylphenoxy)acetate
CID 70527537
[5-chloro-2-(3-ethoxypropoxy)phenyl]methanol
CID 65175257
5-chloro-2-nonoxybenzenesulfonyl chloride
CID 63495663
4-chloro-2-(3-propan-2-yloxypropoxy)benzenesulfonamide
CID 125419523
5-chloro-2-(2-pyridin-2-ylethoxy)benzenesulfonamide
CID 82914800
1-[5-chloro-2-(3-ethoxypropoxy)phenyl]ethanol
CID 65175757

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide?
The IUPAC name of 5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide (CID 65180427) is 5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide?
The canonical SMILES for 5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide is CCOCCCOc1ccc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide?
The InChIKey is XXZFNQMWCAMPNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO4S/c1-2-16-6-3-7-17-10-5-4-9(12)8-11(10)18(13,14)15/h4-5,8H,2-3,6-7H2,1H3,(H2,13,14,15).
What are the key properties of 5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide?
5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide has a molecular weight of 293.77 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-ethoxypropoxy)benzenesulfonamide is sourced from PubChem (CID 65180427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).