2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide

C11H15Cl2NO5S2 — CID 65098440

IUPAC2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide
SMILESCCS(=O)(=O)CCCOc1ccc(S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO5S2/c1-2-20(15,16)7-3-6-19-8-4-5-9(21(14,17)18)11(13)10(8)12/h4-5H,2-3,6-7H2,1H3,(H2,14,17,18)
InChIKeyAPELGKWTCVGQNA-UHFFFAOYSA-N
MW376.28 g/mol
LogP1.84
Rot. Bonds7

About 2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide

2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide (PubChem CID 65098440) has the molecular formula C11H15Cl2NO5S2 and a molecular weight of 376.28 g/mol. Its IUPAC name is 2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide
PubChem CID65098440
Molecular FormulaC11H15Cl2NO5S2
Molecular Weight376.28 g/mol
Exact Mass374.98
IUPAC Name2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide
SMILESCCS(=O)(=O)CCCOc1ccc(S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C11H15Cl2NO5S2/c1-2-20(15,16)7-3-6-19-8-4-5-9(21(14,17)18)11(13)10(8)12/h4-5H,2-3,6-7H2,1H3,(H2,14,17,18)
InChIKeyAPELGKWTCVGQNA-UHFFFAOYSA-N
XLogP1.84
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.28
LogP ≤ 51.84
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

2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide
CID 63191807
2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide
CID 82913408
4-but-2-ynoxy-2,3-dichlorobenzenesulfonamide
CID 82912289
2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide
CID 43342544
2,3-dichloro-4-phenylmethoxybenzenesulfonamide
CID 43164582
3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide
CID 82913410
2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide
CID 82911048
2,3-dichloro-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82913767
2-butoxy-5-chlorobenzenesulfonamide
CID 62103523
2,3-dichloro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]benzenesulfonamide
CID 107915004
2,3-dichloro-4-[(1-methylpyrazol-3-yl)methoxy]benzenesulfonamide
CID 82869265
2,3-dichloro-4-(4-methylpentoxy)benzenesulfonyl chloride
CID 83157190

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide (CID 65098440) is 2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide is CCS(=O)(=O)CCCOc1ccc(S(N)(=O)=O)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide?
The InChIKey is APELGKWTCVGQNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO5S2/c1-2-20(15,16)7-3-6-19-8-4-5-9(21(14,17)18)11(13)10(8)12/h4-5H,2-3,6-7H2,1H3,(H2,14,17,18).
What are the key properties of 2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide?
2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide has a molecular weight of 376.28 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide is sourced from PubChem (CID 65098440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).