N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide

C8H13NO2S — CID 144786584

IUPACN,N-dimethylcyclohexa-1,5-diene-1-sulfonamide
SMILESCN(C)S(=O)(=O)C1=CCCC=C1
InChIInChI=1S/C8H13NO2S/c1-9(2)12(10,11)8-6-4-3-5-7-8/h4,6-7H,3,5H2,1-2H3
InChIKeyOYGYHURBBZNGNQ-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.11
Rot. Bonds2

About N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide

N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 144786584) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID144786584
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC NameN,N-dimethylcyclohexa-1,5-diene-1-sulfonamide
SMILESCN(C)S(=O)(=O)C1=CCCC=C1
InChIInChI=1S/C8H13NO2S/c1-9(2)12(10,11)8-6-4-3-5-7-8/h4,6-7H,3,5H2,1-2H3
InChIKeyOYGYHURBBZNGNQ-UHFFFAOYSA-N
XLogP1.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide (CID 144786584) is N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide is CN(C)S(=O)(=O)C1=CCCC=C1.
What is the InChIKey of N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is OYGYHURBBZNGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-9(2)12(10,11)8-6-4-3-5-7-8/h4,6-7H,3,5H2,1-2H3.
What are the key properties of N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide?
N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 187.26 g/mol, XLogP of 1.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 144786584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).