N,N-dimethylbenzo[e]azulene-5-sulfonamide

C16H15NO2S — CID 67468891

IUPACN,N-dimethylbenzo[e]azulene-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc2cccc-2c2ccccc2c1
InChIInChI=1S/C16H15NO2S/c1-17(2)20(18,19)14-10-12-6-3-4-8-15(12)16-9-5-7-13(16)11-14/h3-11H,1-2H3
InChIKeyJVHIDTYKOVNMLD-UHFFFAOYSA-N
MW285.37 g/mol
LogP3.19
Rot. Bonds2

About N,N-dimethylbenzo[e]azulene-5-sulfonamide

N,N-dimethylbenzo[e]azulene-5-sulfonamide (PubChem CID 67468891) has the molecular formula C16H15NO2S and a molecular weight of 285.37 g/mol. Its IUPAC name is N,N-dimethylbenzo[e]azulene-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethylbenzo[e]azulene-5-sulfonamide
PubChem CID67468891
Molecular FormulaC16H15NO2S
Molecular Weight285.37 g/mol
Exact Mass285.08
IUPAC NameN,N-dimethylbenzo[e]azulene-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1cc2cccc-2c2ccccc2c1
InChIInChI=1S/C16H15NO2S/c1-17(2)20(18,19)14-10-12-6-3-4-8-15(12)16-9-5-7-13(16)11-14/h3-11H,1-2H3
InChIKeyJVHIDTYKOVNMLD-UHFFFAOYSA-N
XLogP3.19
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethylazulene-5-sulfonamide
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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylbenzo[e]azulene-5-sulfonamide?
The IUPAC name of N,N-dimethylbenzo[e]azulene-5-sulfonamide (CID 67468891) is N,N-dimethylbenzo[e]azulene-5-sulfonamide.
What is the SMILES notation for N,N-dimethylbenzo[e]azulene-5-sulfonamide?
The canonical SMILES for N,N-dimethylbenzo[e]azulene-5-sulfonamide is CN(C)S(=O)(=O)c1cc2cccc-2c2ccccc2c1.
What is the InChIKey of N,N-dimethylbenzo[e]azulene-5-sulfonamide?
The InChIKey is JVHIDTYKOVNMLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2S/c1-17(2)20(18,19)14-10-12-6-3-4-8-15(12)16-9-5-7-13(16)11-14/h3-11H,1-2H3.
What are the key properties of N,N-dimethylbenzo[e]azulene-5-sulfonamide?
N,N-dimethylbenzo[e]azulene-5-sulfonamide has a molecular weight of 285.37 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylbenzo[e]azulene-5-sulfonamide is sourced from PubChem (CID 67468891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).