N,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide

C9H15NO2S — CID 149268944

IUPACN,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide
SMILESCC1=CC=C(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H15NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4,6H,5,7H2,1-3H3
InChIKeyXQRNBHAPQPZACD-UHFFFAOYSA-N
MW201.29 g/mol
LogP1.50
Rot. Bonds2

About N,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide

N,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide (PubChem CID 149268944) has the molecular formula C9H15NO2S and a molecular weight of 201.29 g/mol. Its IUPAC name is N,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide.

Molecular Properties

Compound NameN,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide
PubChem CID149268944
Molecular FormulaC9H15NO2S
Molecular Weight201.29 g/mol
Exact Mass201.08
IUPAC NameN,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide
SMILESCC1=CC=C(S(=O)(=O)N(C)C)CC1
InChIInChI=1S/C9H15NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4,6H,5,7H2,1-3H3
InChIKeyXQRNBHAPQPZACD-UHFFFAOYSA-N
XLogP1.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.29
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide?
The IUPAC name of N,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide (CID 149268944) is N,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide.
What is the SMILES notation for N,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide?
The canonical SMILES for N,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide is CC1=CC=C(S(=O)(=O)N(C)C)CC1.
What is the InChIKey of N,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide?
The InChIKey is XQRNBHAPQPZACD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2S/c1-8-4-6-9(7-5-8)13(11,12)10(2)3/h4,6H,5,7H2,1-3H3.
What are the key properties of N,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide?
N,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide has a molecular weight of 201.29 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethylcyclohexa-1,3-diene-1-sulfonamide is sourced from PubChem (CID 149268944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).