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

C8H13NO2S — CID 144812227

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

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

N,N-dimethylcyclohexa-1,3-diene-1-sulfonamide (PubChem CID 144812227) has the molecular formula C8H13NO2S and a molecular weight of 187.26 g/mol. Its IUPAC name is N,N-dimethylcyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound NameN,N-dimethylcyclohexa-1,3-diene-1-sulfonamide
PubChem CID144812227
Molecular FormulaC8H13NO2S
Molecular Weight187.26 g/mol
Exact Mass187.07
IUPAC NameN,N-dimethylcyclohexa-1,3-diene-1-sulfonamide
SMILESCN(C)S(=O)(=O)C1=CC=CCC1
InChIInChI=1S/C8H13NO2S/c1-9(2)12(10,11)8-6-4-3-5-7-8/h3-4,6H,5,7H2,1-2H3
InChIKeyDFXPQKABXUJCIX-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

Analyze N,N-dimethylcyclohexa-1,3-diene-1-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-N,N-dimethylcyclohexa-1,5-diene-1-sulfonamide
CID 123417701
lithium N,N-dimethylbenzenesulfonamide
CID 134894929
N-methylcyclohexa-1,3-diene-1-sulfonamide
CID 22282495
N,N-dimethylbenzenesulfonamide;tungsten
CID 59973464
N-but-3-enyl-N-butylcyclohexa-1,3-diene-1-sulfonamide
CID 68213066
N-methylcyclohexa-1,5-diene-1-sulfonamide
CID 89177335
N,N,5,5-tetramethylcyclohepta-1,3,6-triene-1-sulfonamide
CID 90721165
N-[cyclohexa-1,3-dien-1-yl(dihydroxy)-lambda4-sulfanyl]-N-methylmethanamine
CID 91496215
5-ethyl-N,N-dimethylhepta-2,4,6-triene-2-sulfonamide
CID 123183916
N,N-dimethylpent-2-ene-2-sulfonamide
CID 123376948
4-iodo-N-methyl-N-propylcyclohexa-1,5-diene-1-sulfonamide
CID 130349564
N,N,1,6-tetramethylcyclohexa-2,4-diene-1-sulfonamide
CID 140368077

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylcyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of N,N-dimethylcyclohexa-1,3-diene-1-sulfonamide (CID 144812227) is N,N-dimethylcyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for N,N-dimethylcyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for N,N-dimethylcyclohexa-1,3-diene-1-sulfonamide is CN(C)S(=O)(=O)C1=CC=CCC1.
What is the InChIKey of N,N-dimethylcyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is DFXPQKABXUJCIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2S/c1-9(2)12(10,11)8-6-4-3-5-7-8/h3-4,6H,5,7H2,1-2H3.
What are the key properties of N,N-dimethylcyclohexa-1,3-diene-1-sulfonamide?
N,N-dimethylcyclohexa-1,3-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-1,3-diene-1-sulfonamide is sourced from PubChem (CID 144812227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).