3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide

C12H15Cl2NO3S — CID 115698683

IUPAC3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
SMILESC=C(C)COCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO3S/c1-9(2)8-18-6-5-15-19(16,17)10-3-4-11(13)12(14)7-10/h3-4,7,15H,1,5-6,8H2,2H3
InChIKeyNBDYFRICGQHSKD-UHFFFAOYSA-N
MW324.23 g/mol
LogP2.86
Rot. Bonds7

About 3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide

3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide (PubChem CID 115698683) has the molecular formula C12H15Cl2NO3S and a molecular weight of 324.23 g/mol. Its IUPAC name is 3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
PubChem CID115698683
Molecular FormulaC12H15Cl2NO3S
Molecular Weight324.23 g/mol
Exact Mass323.01
IUPAC Name3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
SMILESC=C(C)COCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H15Cl2NO3S/c1-9(2)8-18-6-5-15-19(16,17)10-3-4-11(13)12(14)7-10/h3-4,7,15H,1,5-6,8H2,2H3
InChIKeyNBDYFRICGQHSKD-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698761
3,4-dichloro-N-[2-(2-chloroethoxy)ethyl]benzenesulfonamide
CID 65033465
3-bromo-4-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698727
4-amino-3-methoxy-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 114464967
N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 115698833
N-[2-(2-methylprop-2-enoxy)ethyl]-2,3-dihydro-1H-indole-6-sulfonamide
CID 114469007
2-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]-4-nitrobenzenesulfonamide
CID 115698751
N-[2-(2-methylprop-2-enoxy)ethyl]-1,2,3,4-tetrahydroquinoline-7-sulfonamide
CID 114468987
3,4-dichloro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 110359442
4-[2-(2-methylprop-2-enoxy)ethylamino]-N-propylbenzenesulfonamide
CID 114468845
3,4-dichloro-N-(2-fluoroethyl)benzenesulfonamide
CID 87814655
3-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzenesulfonamide
CID 62498134

Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide?
The IUPAC name of 3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide (CID 115698683) is 3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide.
What is the SMILES notation for 3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide?
The canonical SMILES for 3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide is C=C(C)COCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide?
The InChIKey is NBDYFRICGQHSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2NO3S/c1-9(2)8-18-6-5-15-19(16,17)10-3-4-11(13)12(14)7-10/h3-4,7,15H,1,5-6,8H2,2H3.
What are the key properties of 3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide?
3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide has a molecular weight of 324.23 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide is sourced from PubChem (CID 115698683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).