N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide

C9H11NO2S — CID 123560308

IUPACN-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide
SMILESC=c1ccc(NS(C)(=O)=O)cc1=C
InChIInChI=1S/C9H11NO2S/c1-7-4-5-9(6-8(7)2)10-13(3,11)12/h4-6,10H,1-2H2,3H3
InChIKeyHQAQIRHPZOYLOH-UHFFFAOYSA-N
MW197.26 g/mol
LogP-0.12
Rot. Bonds2

About N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide

N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide (PubChem CID 123560308) has the molecular formula C9H11NO2S and a molecular weight of 197.26 g/mol. Its IUPAC name is N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide
PubChem CID123560308
Molecular FormulaC9H11NO2S
Molecular Weight197.26 g/mol
Exact Mass197.05
IUPAC NameN-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide
SMILESC=c1ccc(NS(C)(=O)=O)cc1=C
InChIInChI=1S/C9H11NO2S/c1-7-4-5-9(6-8(7)2)10-13(3,11)12/h4-6,10H,1-2H2,3H3
InChIKeyHQAQIRHPZOYLOH-UHFFFAOYSA-N
XLogP-0.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide?
The IUPAC name of N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide (CID 123560308) is N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide.
What is the SMILES notation for N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide?
The canonical SMILES for N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide is C=c1ccc(NS(C)(=O)=O)cc1=C.
What is the InChIKey of N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide?
The InChIKey is HQAQIRHPZOYLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2S/c1-7-4-5-9(6-8(7)2)10-13(3,11)12/h4-6,10H,1-2H2,3H3.
What are the key properties of N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide?
N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide has a molecular weight of 197.26 g/mol, XLogP of -0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylidenecyclohexa-1,5-dien-1-yl)methanesulfonamide is sourced from PubChem (CID 123560308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).