2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide

C12H14Cl2N2O3S — CID 82913408

IUPAC2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide
SMILESCC(C)(C#N)CCOc1ccc(S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O3S/c1-12(2,7-15)5-6-19-8-3-4-9(20(16,17)18)11(14)10(8)13/h3-4H,5-6H2,1-2H3,(H2,16,17,18)
InChIKeyQJUGSAMSZNLFRN-UHFFFAOYSA-N
MW337.23 g/mol
LogP2.96
Rot. Bonds5

About 2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide

2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide (PubChem CID 82913408) has the molecular formula C12H14Cl2N2O3S and a molecular weight of 337.23 g/mol. Its IUPAC name is 2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide
PubChem CID82913408
Molecular FormulaC12H14Cl2N2O3S
Molecular Weight337.23 g/mol
Exact Mass336.01
IUPAC Name2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide
SMILESCC(C)(C#N)CCOc1ccc(S(N)(=O)=O)c(Cl)c1Cl
InChIInChI=1S/C12H14Cl2N2O3S/c1-12(2,7-15)5-6-19-8-3-4-9(20(16,17)18)11(14)10(8)13/h3-4H,5-6H2,1-2H3,(H2,16,17,18)
InChIKeyQJUGSAMSZNLFRN-UHFFFAOYSA-N
XLogP2.96
TPSA93.18 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyano-3-methylbutoxy)-5-fluorobenzenesulfonamide
CID 82915040
2,3-dichloro-4-(3-methylsulfonylpropoxy)benzenesulfonamide
CID 63191807
2,3-dichloro-4-(3-ethylsulfonylpropoxy)benzenesulfonamide
CID 65098440
5-chloro-2-(4-cyano-4-methylpentoxy)benzenesulfonamide
CID 82914643
4-(4-cyano-4-methylpentoxy)-2,3-dimethylbenzenesulfonamide
CID 82913481
4-(3-cyano-3-methylbutoxy)-2,3-dimethylbenzenesulfonyl chloride
CID 82910211
4-but-2-ynoxy-2,3-dichlorobenzenesulfonamide
CID 82912289
2-(3-cyano-3-methylbutoxy)-5-methylbenzenesulfonyl chloride
CID 82909865
2,3-dichloro-4-[(4-chlorophenyl)methoxy]benzenesulfonamide
CID 43342544
2,3-dichloro-4-phenylmethoxybenzenesulfonamide
CID 43164582
2-(2,3-dichloro-4-sulfamoylphenoxy)-N-methylacetamide
CID 82911048
3-(2,3-dichloro-4-sulfamoylphenoxy)-2-methylpropanamide
CID 82913410

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide?
The IUPAC name of 2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide (CID 82913408) is 2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide is CC(C)(C#N)CCOc1ccc(S(N)(=O)=O)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide?
The InChIKey is QJUGSAMSZNLFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O3S/c1-12(2,7-15)5-6-19-8-3-4-9(20(16,17)18)11(14)10(8)13/h3-4H,5-6H2,1-2H3,(H2,16,17,18).
What are the key properties of 2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide?
2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide has a molecular weight of 337.23 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-(3-cyano-3-methylbutoxy)benzenesulfonamide is sourced from PubChem (CID 82913408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).