1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride

C8H12ClNO4S2 — CID 162726899

IUPAC1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride
SMILESCN(C)S(=O)(=O)C1(S(=O)(=O)Cl)C=CC=CC1
InChIInChI=1S/C8H12ClNO4S2/c1-10(2)16(13,14)8(15(9,11)12)6-4-3-5-7-8/h3-6H,7H2,1-2H3
InChIKeyWORCYOIVHFDTQJ-UHFFFAOYSA-N
MW285.77 g/mol
LogP0.66
Rot. Bonds3

About 1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride

1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride (PubChem CID 162726899) has the molecular formula C8H12ClNO4S2 and a molecular weight of 285.77 g/mol. Its IUPAC name is 1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride
PubChem CID162726899
Molecular FormulaC8H12ClNO4S2
Molecular Weight285.77 g/mol
Exact Mass284.99
IUPAC Name1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride
SMILESCN(C)S(=O)(=O)C1(S(=O)(=O)Cl)C=CC=CC1
InChIInChI=1S/C8H12ClNO4S2/c1-10(2)16(13,14)8(15(9,11)12)6-4-3-5-7-8/h3-6H,7H2,1-2H3
InChIKeyWORCYOIVHFDTQJ-UHFFFAOYSA-N
XLogP0.66
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.77
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride?
The IUPAC name of 1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride (CID 162726899) is 1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride.
What is the SMILES notation for 1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride?
The canonical SMILES for 1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride is CN(C)S(=O)(=O)C1(S(=O)(=O)Cl)C=CC=CC1.
What is the InChIKey of 1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride?
The InChIKey is WORCYOIVHFDTQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12ClNO4S2/c1-10(2)16(13,14)8(15(9,11)12)6-4-3-5-7-8/h3-6H,7H2,1-2H3.
What are the key properties of 1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride?
1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride has a molecular weight of 285.77 g/mol, XLogP of 0.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoyl)cyclohexa-2,4-diene-1-sulfonyl chloride is sourced from PubChem (CID 162726899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).