6-methylcyclohexa-1,5-diene-1-sulfonamide

C7H11NO2S — CID 21445051

IUPAC6-methylcyclohexa-1,5-diene-1-sulfonamide
SMILESCC1=CCCC=C1S(N)(=O)=O
InChIInChI=1S/C7H11NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h4-5H,2-3H2,1H3,(H2,8,9,10)
InChIKeyCEZDFWFFICVDQE-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.90
Rot. Bonds1

About 6-methylcyclohexa-1,5-diene-1-sulfonamide

6-methylcyclohexa-1,5-diene-1-sulfonamide (PubChem CID 21445051) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 6-methylcyclohexa-1,5-diene-1-sulfonamide.

Molecular Properties

Compound Name6-methylcyclohexa-1,5-diene-1-sulfonamide
PubChem CID21445051
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name6-methylcyclohexa-1,5-diene-1-sulfonamide
SMILESCC1=CCCC=C1S(N)(=O)=O
InChIInChI=1S/C7H11NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h4-5H,2-3H2,1H3,(H2,8,9,10)
InChIKeyCEZDFWFFICVDQE-UHFFFAOYSA-N
XLogP0.90
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylcyclohexa-1,5-diene-1-sulfonamide?
The IUPAC name of 6-methylcyclohexa-1,5-diene-1-sulfonamide (CID 21445051) is 6-methylcyclohexa-1,5-diene-1-sulfonamide.
What is the SMILES notation for 6-methylcyclohexa-1,5-diene-1-sulfonamide?
The canonical SMILES for 6-methylcyclohexa-1,5-diene-1-sulfonamide is CC1=CCCC=C1S(N)(=O)=O.
What is the InChIKey of 6-methylcyclohexa-1,5-diene-1-sulfonamide?
The InChIKey is CEZDFWFFICVDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h4-5H,2-3H2,1H3,(H2,8,9,10).
What are the key properties of 6-methylcyclohexa-1,5-diene-1-sulfonamide?
6-methylcyclohexa-1,5-diene-1-sulfonamide has a molecular weight of 173.24 g/mol, XLogP of 0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylcyclohexa-1,5-diene-1-sulfonamide is sourced from PubChem (CID 21445051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).