N-cyclohexa-1,5-dien-1-ylethanesulfonamide

C8H13NO2S — CID 22261328

IUPACN-cyclohexa-1,5-dien-1-ylethanesulfonamide
SMILESCCS(=O)(=O)NC1=CCCC=C1
InChIInChI=1S/C8H13NO2S/c1-2-12(10,11)9-8-6-4-3-5-7-8/h4,6-7,9H,2-3,5H2,1H3
InChIKeyHAMDOGBQLJMNEK-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.16
Rot. Bonds3

About N-cyclohexa-1,5-dien-1-ylethanesulfonamide

N-cyclohexa-1,5-dien-1-ylethanesulfonamide (PubChem CID 22261328) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is N-cyclohexa-1,5-dien-1-ylethanesulfonamide.

Molecular Properties

Compound NameN-cyclohexa-1,5-dien-1-ylethanesulfonamide
PubChem CID22261328
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC NameN-cyclohexa-1,5-dien-1-ylethanesulfonamide
SMILESCCS(=O)(=O)NC1=CCCC=C1
InChIInChI=1S/C8H13NO2S/c1-2-12(10,11)9-8-6-4-3-5-7-8/h4,6-7,9H,2-3,5H2,1H3
InChIKeyHAMDOGBQLJMNEK-UHFFFAOYSA-N
XLogP1.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-1,5-dien-1-ylethanesulfonamide?
The IUPAC name of N-cyclohexa-1,5-dien-1-ylethanesulfonamide (CID 22261328) is N-cyclohexa-1,5-dien-1-ylethanesulfonamide.
What is the SMILES notation for N-cyclohexa-1,5-dien-1-ylethanesulfonamide?
The canonical SMILES for N-cyclohexa-1,5-dien-1-ylethanesulfonamide is CCS(=O)(=O)NC1=CCCC=C1.
What is the InChIKey of N-cyclohexa-1,5-dien-1-ylethanesulfonamide?
The InChIKey is HAMDOGBQLJMNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-2-12(10,11)9-8-6-4-3-5-7-8/h4,6-7,9H,2-3,5H2,1H3.
What are the key properties of N-cyclohexa-1,5-dien-1-ylethanesulfonamide?
N-cyclohexa-1,5-dien-1-ylethanesulfonamide has a molecular weight of 187.26 g/mol, XLogP of 1.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-1,5-dien-1-ylethanesulfonamide is sourced from PubChem (CID 22261328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).