N-methylcyclohepta-2,4,6-triene-1-sulfonamide

C8H11NO2S — CID 563175

IUPACN-methylcyclohepta-2,4,6-triene-1-sulfonamide
SMILESCNS(=O)(=O)C1C=CC=CC=C1
InChIInChI=1S/C8H11NO2S/c1-9-12(10,11)8-6-4-2-3-5-7-8/h2-9H,1H3
InChIKeyHEUQOGDXXZLRLU-UHFFFAOYSA-N
MW185.25 g/mol
LogP0.59
Rot. Bonds2

About N-methylcyclohepta-2,4,6-triene-1-sulfonamide

N-methylcyclohepta-2,4,6-triene-1-sulfonamide (PubChem CID 563175) has the molecular formula C8H11NO2S and a molecular weight of 185.25 g/mol. Its IUPAC name is N-methylcyclohepta-2,4,6-triene-1-sulfonamide.

Molecular Properties

Compound NameN-methylcyclohepta-2,4,6-triene-1-sulfonamide
PubChem CID563175
Molecular FormulaC8H11NO2S
Molecular Weight185.25 g/mol
Exact Mass185.05
IUPAC NameN-methylcyclohepta-2,4,6-triene-1-sulfonamide
SMILESCNS(=O)(=O)C1C=CC=CC=C1
InChIInChI=1S/C8H11NO2S/c1-9-12(10,11)8-6-4-2-3-5-7-8/h2-9H,1H3
InChIKeyHEUQOGDXXZLRLU-UHFFFAOYSA-N
XLogP0.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z,4Z)-3-fluoro-N-methylhepta-2,4-diene-2-sulfonamide
CID 141969935
N-methylcyclohexa-1,3-diene-1-sulfonamide
CID 22282495
N-methylcyclopenta-1,4-diene-1-sulfonamide
CID 58109927
N-methylcyclohexa-2,4-diene-1-sulfonamide
CID 70317895
N-methylcyclohexa-1,5-diene-1-sulfonamide
CID 89177335
(3E,5Z)-N,2-dimethylocta-3,5,7-triene-4-sulfonamide
CID 90058003
N,5,5-trimethylcyclohepta-1,3,6-triene-1-sulfonamide
CID 91240775
3-chloro-N-methylcyclohexa-2,4-diene-1-sulfonamide
CID 117901041
1-cyclohexa-1,3-dien-1-yl-N-methylmethanesulfonamide
CID 122499368
N-(2-methylidenepent-3-enyl)butane-2-sulfonamide
CID 123409379
(3Z,5Z)-N-methyl-2-methylidenehepta-3,5-diene-1-sulfonamide
CID 134526328
(E)-N-methylhept-4-ene-1-sulfonamide
CID 135220044

Frequently Asked Questions

What is the IUPAC name of N-methylcyclohepta-2,4,6-triene-1-sulfonamide?
The IUPAC name of N-methylcyclohepta-2,4,6-triene-1-sulfonamide (CID 563175) is N-methylcyclohepta-2,4,6-triene-1-sulfonamide.
What is the SMILES notation for N-methylcyclohepta-2,4,6-triene-1-sulfonamide?
The canonical SMILES for N-methylcyclohepta-2,4,6-triene-1-sulfonamide is CNS(=O)(=O)C1C=CC=CC=C1.
What is the InChIKey of N-methylcyclohepta-2,4,6-triene-1-sulfonamide?
The InChIKey is HEUQOGDXXZLRLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2S/c1-9-12(10,11)8-6-4-2-3-5-7-8/h2-9H,1H3.
What are the key properties of N-methylcyclohepta-2,4,6-triene-1-sulfonamide?
N-methylcyclohepta-2,4,6-triene-1-sulfonamide has a molecular weight of 185.25 g/mol, XLogP of 0.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylcyclohepta-2,4,6-triene-1-sulfonamide is sourced from PubChem (CID 563175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).