4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide

C11H11Cl2NO2S — CID 13215440

IUPAC4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide
SMILESCC(=C=CCl)CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11Cl2NO2S/c1-9(6-7-12)8-14-17(15,16)11-4-2-10(13)3-5-11/h2-5,7,14H,8H2,1H3
InChIKeyRZJKWAWIJZOBQA-UHFFFAOYSA-N
MW292.19 g/mol
LogP2.92
Rot. Bonds4

About 4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide

4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide (PubChem CID 13215440) has the molecular formula C11H11Cl2NO2S and a molecular weight of 292.19 g/mol. Its IUPAC name is 4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide
PubChem CID13215440
Molecular FormulaC11H11Cl2NO2S
Molecular Weight292.19 g/mol
Exact Mass290.99
IUPAC Name4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide
SMILESCC(=C=CCl)CNS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C11H11Cl2NO2S/c1-9(6-7-12)8-14-17(15,16)11-4-2-10(13)3-5-11/h2-5,7,14H,8H2,1H3
InChIKeyRZJKWAWIJZOBQA-UHFFFAOYSA-N
XLogP2.92
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.19
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(2-methylocta-2,3-dienyl)benzenesulfonamide
CID 11119928
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
N-(4-acetylphenyl)-2-[(4-chlorophenyl)sulfonylamino]acetamide
CID 112999628
N-[2-(azepan-1-yl)-2-oxoethyl]-4-chlorobenzenesulfonamide
CID 112995974
N-(4-chlorophenyl)sulfonylacetamide
CID 139084564
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887
3-[(4-chlorophenyl)sulfonylamino]-N-ethylpropanamide
CID 17225661
N-[3-(2-but-2-en-2-ylhydrazinyl)-3-oxopropyl]-4-chlorobenzenesulfonamide
CID 4165843
2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)acetamide
CID 113001461
4-chloro-N-[2-(2-methylprop-2-enoxy)ethyl]benzenesulfonamide
CID 115698761
2-[(4-chlorophenyl)sulfonylamino]ethyl-dimethylazanium
CID 4122196
N-(2-amino-2-methylpropyl)-4-chlorobenzenesulfonamide;hydrochloride
CID 119988011

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide?
The IUPAC name of 4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide (CID 13215440) is 4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide?
The canonical SMILES for 4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide is CC(=C=CCl)CNS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide?
The InChIKey is RZJKWAWIJZOBQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2S/c1-9(6-7-12)8-14-17(15,16)11-4-2-10(13)3-5-11/h2-5,7,14H,8H2,1H3.
What are the key properties of 4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide?
4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide has a molecular weight of 292.19 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chloro-2-methylbuta-2,3-dienyl)benzenesulfonamide is sourced from PubChem (CID 13215440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).