2-methylcyclohexa-2,4-diene-1-sulfonamide

C7H11NO2S — CID 70338600

IUPAC2-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1=CC=CCC1S(N)(=O)=O
InChIInChI=1S/C7H11NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-4,7H,5H2,1H3,(H2,8,9,10)
InChIKeyITUWWZOBBAUDOT-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.55
Rot. Bonds1

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

2-methylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 70338600) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is 2-methylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound Name2-methylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID70338600
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC Name2-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCC1=CC=CCC1S(N)(=O)=O
InChIInChI=1S/C7H11NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-4,7H,5H2,1H3,(H2,8,9,10)
InChIKeyITUWWZOBBAUDOT-UHFFFAOYSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of 2-methylcyclohexa-2,4-diene-1-sulfonamide (CID 70338600) is 2-methylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for 2-methylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for 2-methylcyclohexa-2,4-diene-1-sulfonamide is CC1=CC=CCC1S(N)(=O)=O.
What is the InChIKey of 2-methylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is ITUWWZOBBAUDOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-6-4-2-3-5-7(6)11(8,9)10/h2-4,7H,5H2,1H3,(H2,8,9,10).
What are the key properties of 2-methylcyclohexa-2,4-diene-1-sulfonamide?
2-methylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 173.24 g/mol, XLogP of 0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 70338600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).