N,2-dimethylcyclohexa-1,3-diene-1-sulfonamide

C8H13NO2S — CID 142050898

IUPACN,2-dimethylcyclohexa-1,3-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1=C(C)C=CCC1
InChIInChI=1S/C8H13NO2S/c1-7-5-3-4-6-8(7)12(10,11)9-2/h3,5,9H,4,6H2,1-2H3
InChIKeyIAIQZAQIHZNUJK-UHFFFAOYSA-N
MW187.26 g/mol
LogP1.16
Rot. Bonds2

About N,2-dimethylcyclohexa-1,3-diene-1-sulfonamide

N,2-dimethylcyclohexa-1,3-diene-1-sulfonamide (PubChem CID 142050898) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is N,2-dimethylcyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound NameN,2-dimethylcyclohexa-1,3-diene-1-sulfonamide
PubChem CID142050898
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC NameN,2-dimethylcyclohexa-1,3-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1=C(C)C=CCC1
InChIInChI=1S/C8H13NO2S/c1-7-5-3-4-6-8(7)12(10,11)9-2/h3,5,9H,4,6H2,1-2H3
InChIKeyIAIQZAQIHZNUJK-UHFFFAOYSA-N
XLogP1.16
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
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,2-dimethylcyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of N,2-dimethylcyclohexa-1,3-diene-1-sulfonamide (CID 142050898) is N,2-dimethylcyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for N,2-dimethylcyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for N,2-dimethylcyclohexa-1,3-diene-1-sulfonamide is CNS(=O)(=O)C1=C(C)C=CCC1.
What is the InChIKey of N,2-dimethylcyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is IAIQZAQIHZNUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-7-5-3-4-6-8(7)12(10,11)9-2/h3,5,9H,4,6H2,1-2H3.
What are the key properties of N,2-dimethylcyclohexa-1,3-diene-1-sulfonamide?
N,2-dimethylcyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 187.26 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylcyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 142050898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).