4-methoxycyclohexa-2,4-diene-1-sulfonamide

C7H11NO3S — CID 146915691

IUPAC4-methoxycyclohexa-2,4-diene-1-sulfonamide
SMILESCOC1=CCC(S(N)(=O)=O)C=C1
InChIInChI=1S/C7H11NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-4,7H,5H2,1H3,(H2,8,9,10)
InChIKeyACEJJHNHDAZJDZ-UHFFFAOYSA-N
MW189.24 g/mol
LogP0.13
Rot. Bonds2

About 4-methoxycyclohexa-2,4-diene-1-sulfonamide

4-methoxycyclohexa-2,4-diene-1-sulfonamide (PubChem CID 146915691) has the molecular formula C7H11NO3S and a molecular weight of 189.24 g/mol. Its IUPAC name is 4-methoxycyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name4-methoxycyclohexa-2,4-diene-1-sulfonamide
PubChem CID146915691
Molecular FormulaC7H11NO3S
Molecular Weight189.24 g/mol
Exact Mass189.05
IUPAC Name4-methoxycyclohexa-2,4-diene-1-sulfonamide
SMILESCOC1=CCC(S(N)(=O)=O)C=C1
InChIInChI=1S/C7H11NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-4,7H,5H2,1H3,(H2,8,9,10)
InChIKeyACEJJHNHDAZJDZ-UHFFFAOYSA-N
XLogP0.13
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.24
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxycyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 4-methoxycyclohexa-2,4-diene-1-sulfonamide (CID 146915691) is 4-methoxycyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 4-methoxycyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 4-methoxycyclohexa-2,4-diene-1-sulfonamide is COC1=CCC(S(N)(=O)=O)C=C1.
What is the InChIKey of 4-methoxycyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is ACEJJHNHDAZJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3S/c1-11-6-2-4-7(5-3-6)12(8,9)10/h2-4,7H,5H2,1H3,(H2,8,9,10).
What are the key properties of 4-methoxycyclohexa-2,4-diene-1-sulfonamide?
4-methoxycyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 189.24 g/mol, XLogP of 0.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxycyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 146915691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).