1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide

C6H7Cl2NO2S — CID 141401791

IUPAC1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1(Cl)C=CC(Cl)=CC1
InChIInChI=1S/C6H7Cl2NO2S/c7-5-1-3-6(8,4-2-5)12(9,10)11/h1-3H,4H2,(H2,9,10,11)
InChIKeyVYLUUNRYZWQRNJ-UHFFFAOYSA-N
MW228.10 g/mol
LogP1.29
Rot. Bonds1

About 1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide

1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide (PubChem CID 141401791) has the molecular formula C6H7Cl2NO2S and a molecular weight of 228.10 g/mol. Its IUPAC name is 1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide
PubChem CID141401791
Molecular FormulaC6H7Cl2NO2S
Molecular Weight228.10 g/mol
Exact Mass226.96
IUPAC Name1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide
SMILESNS(=O)(=O)C1(Cl)C=CC(Cl)=CC1
InChIInChI=1S/C6H7Cl2NO2S/c7-5-1-3-6(8,4-2-5)12(9,10)11/h1-3H,4H2,(H2,9,10,11)
InChIKeyVYLUUNRYZWQRNJ-UHFFFAOYSA-N
XLogP1.29
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.10
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-Chloro-6-fluorocyclohexa-2,4-diene-1-sulfonamide
CID 90357948
4-Chloro-4,5-difluorocyclohexa-1,5-diene-1-sulfonamide
CID 151929637
4-Chloro-4-fluorocyclohexa-1,5-diene-1-sulfonamide
CID 151988198
Cyclohexa-1,3-diene-1-sulfonamide
CID 21862867
Cyclohexa-1,5-diene-1-sulfonamide
CID 22760617
4-Chlorocyclohexa-2,4-diene-1-sulfonamide
CID 67968785
5,5-Dichlorocyclohexa-1,3-diene-1-sulfonyl chloride
CID 87299685
1-Chlorocyclohexa-2,4-diene-1-sulfonyl chloride
CID 87345965
3-Chloro-6-sulfanylidenecyclohexa-1,3-diene-1-sulfonamide
CID 87665830
1,5-Dichlorocyclohexa-2,4-diene-1-sulfonic acid
CID 88247457
1,4-Dichlorocyclohexa-2,4-diene-1-sulfonyl chloride
CID 88793971
(1S)-4-chlorocyclohexa-2,4-diene-1-sulfonamide
CID 89340000

Frequently Asked Questions

What is the IUPAC name of 1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide (CID 141401791) is 1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide is NS(=O)(=O)C1(Cl)C=CC(Cl)=CC1.
What is the InChIKey of 1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is VYLUUNRYZWQRNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7Cl2NO2S/c7-5-1-3-6(8,4-2-5)12(9,10)11/h1-3H,4H2,(H2,9,10,11).
What are the key properties of 1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide?
1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 228.10 g/mol, XLogP of 1.29, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichlorocyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 141401791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).