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

C7H11NO2S — CID 70317895

IUPACN-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1C=CC=CC1
InChIInChI=1S/C7H11NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h2-5,7-8H,6H2,1H3
InChIKeyAIWCKMDKLDISNY-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.42
Rot. Bonds2

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

N-methylcyclohexa-2,4-diene-1-sulfonamide (PubChem CID 70317895) has the molecular formula C7H11NO2S and a molecular weight of 173.24 g/mol. Its IUPAC name is N-methylcyclohexa-2,4-diene-1-sulfonamide.

Molecular Properties

Compound NameN-methylcyclohexa-2,4-diene-1-sulfonamide
PubChem CID70317895
Molecular FormulaC7H11NO2S
Molecular Weight173.24 g/mol
Exact Mass173.05
IUPAC NameN-methylcyclohexa-2,4-diene-1-sulfonamide
SMILESCNS(=O)(=O)C1C=CC=CC1
InChIInChI=1S/C7H11NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h2-5,7-8H,6H2,1H3
InChIKeyAIWCKMDKLDISNY-UHFFFAOYSA-N
XLogP0.42
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methylcyclohexa-2,4-diene-1-sulfonamide?
The IUPAC name of N-methylcyclohexa-2,4-diene-1-sulfonamide (CID 70317895) is N-methylcyclohexa-2,4-diene-1-sulfonamide.
What is the SMILES notation for N-methylcyclohexa-2,4-diene-1-sulfonamide?
The canonical SMILES for N-methylcyclohexa-2,4-diene-1-sulfonamide is CNS(=O)(=O)C1C=CC=CC1.
What is the InChIKey of N-methylcyclohexa-2,4-diene-1-sulfonamide?
The InChIKey is AIWCKMDKLDISNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2S/c1-8-11(9,10)7-5-3-2-4-6-7/h2-5,7-8H,6H2,1H3.
What are the key properties of N-methylcyclohexa-2,4-diene-1-sulfonamide?
N-methylcyclohexa-2,4-diene-1-sulfonamide has a molecular weight of 173.24 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohexa-2,4-diene-1-sulfonamide is sourced from PubChem (CID 70317895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).