N-cyclohexa-2,5-dien-1-ylmethanesulfonamide

C7H11NO2S — CID 91301673

IUPACN-cyclohexa-2,5-dien-1-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1C=CCC=C1
InChIInChI=1S/C7H11NO2S/c1-11(9,10)8-7-5-3-2-4-6-7/h3-8H,2H2,1H3
InChIKeyVLKWHKCIONFYCJ-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.42
Rot. Bonds2

About N-cyclohexa-2,5-dien-1-ylmethanesulfonamide

N-cyclohexa-2,5-dien-1-ylmethanesulfonamide (PubChem CID 91301673) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is N-cyclohexa-2,5-dien-1-ylmethanesulfonamide.

Molecular Properties

Compound NameN-cyclohexa-2,5-dien-1-ylmethanesulfonamide
PubChem CID91301673
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC NameN-cyclohexa-2,5-dien-1-ylmethanesulfonamide
SMILESCS(=O)(=O)NC1C=CCC=C1
InChIInChI=1S/C7H11NO2S/c1-11(9,10)8-7-5-3-2-4-6-7/h3-8H,2H2,1H3
InChIKeyVLKWHKCIONFYCJ-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-3,5-difluorocyclohexa-2,4-dien-1-yl]methanesulfonamide
CID 122642776
N-(Cyclohex-2-en-1-yl)methanesulfonamide
CID 71379088
N-cyclopent-3-en-1-ylmethanesulfonamide
CID 15419749
N-cyclohex-3-en-1-ylmethanesulfonamide
CID 59986923
N-(2-methylcyclohexa-2,4-dien-1-yl)methanesulfonamide
CID 89299027
N-but-3-en-2-ylmethanesulfonamide
CID 90248426
(E)-N-propan-2-ylpent-3-ene-1-sulfonamide
CID 90277861
(E)-N-propan-2-ylhex-3-ene-1-sulfonamide
CID 118884462
(E)-N-[(2R)-butan-2-yl]hex-3-ene-1-sulfonamide
CID 118884474
N-cyclohexa-2,5-dien-1-ylsulfamoyl iodide
CID 155205509
N-cyclopent-3-en-1-ylmethanesulfonamide;ethane
CID 167493523
N-cyclohex-2-en-1-ylmethanesulfonamide;ethane
CID 172287631

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,5-dien-1-ylmethanesulfonamide?
The IUPAC name of N-cyclohexa-2,5-dien-1-ylmethanesulfonamide (CID 91301673) is N-cyclohexa-2,5-dien-1-ylmethanesulfonamide.
What is the SMILES notation for N-cyclohexa-2,5-dien-1-ylmethanesulfonamide?
The canonical SMILES for N-cyclohexa-2,5-dien-1-ylmethanesulfonamide is CS(=O)(=O)NC1C=CCC=C1.
What is the InChIKey of N-cyclohexa-2,5-dien-1-ylmethanesulfonamide?
The InChIKey is VLKWHKCIONFYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-11(9,10)8-7-5-3-2-4-6-7/h3-8H,2H2,1H3.
What are the key properties of N-cyclohexa-2,5-dien-1-ylmethanesulfonamide?
N-cyclohexa-2,5-dien-1-ylmethanesulfonamide has a molecular weight of 173.24 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,5-dien-1-ylmethanesulfonamide is sourced from PubChem (CID 91301673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).