N,N-dimethylazulene-5-sulfonamide

C12H13NO2S — CID 67469153

IUPACN,N-dimethylazulene-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc2cccc-2c1
InChIInChI=1S/C12H13NO2S/c1-13(2)16(14,15)12-8-4-6-10-5-3-7-11(10)9-12/h3-9H,1-2H3
InChIKeyBNUJLQQKVHEGAC-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.04
Rot. Bonds2

About N,N-dimethylazulene-5-sulfonamide

N,N-dimethylazulene-5-sulfonamide (PubChem CID 67469153) has the molecular formula C12H13NO2S and a molecular weight of 235.31 g/mol. Its IUPAC name is N,N-dimethylazulene-5-sulfonamide.

Molecular Properties

Compound NameN,N-dimethylazulene-5-sulfonamide
PubChem CID67469153
Molecular FormulaC12H13NO2S
Molecular Weight235.31 g/mol
Exact Mass235.07
IUPAC NameN,N-dimethylazulene-5-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc2cccc-2c1
InChIInChI=1S/C12H13NO2S/c1-13(2)16(14,15)12-8-4-6-10-5-3-7-11(10)9-12/h3-9H,1-2H3
InChIKeyBNUJLQQKVHEGAC-UHFFFAOYSA-N
XLogP2.04
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[3-(dimethylsulfamoyl)phenyl]pyrazin-2-yl]-N,N-dimethylbenzenesulfonamide
CID 13203487
3-(dimethylsulfamoyl)benzenesulfonyl fluoride
CID 114791207
3-chloro-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 142417239
CID 71291795
CID 71291795
N,N-dimethyl-3-methylsulfanylbenzenesulfonamide
CID 149258348
N,N-dimethyl-3-nitrosobenzenesulfonamide
CID 146930978
N,N-dimethyl-3-(4-methylidene-5-oxo-1,3-oxazol-2-yl)benzenesulfonamide
CID 167119396
3-(chloromethyl)-N,N-dimethylbenzenesulfonamide
CID 2106886
3-ethynyl-N,N-dimethylbenzenesulfonamide
CID 129210848
N,N-dimethyl-3-[methyl(methylamino)amino]benzenesulfonamide
CID 58265706
[3-(dimethylsulfamoyl)phenyl]-methylborinic acid;ethane
CID 144646881
3-[3-(dimethylsulfamoyl)phenyl]pyridine-2-carboxylic acid
CID 53224585

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylazulene-5-sulfonamide?
The IUPAC name of N,N-dimethylazulene-5-sulfonamide (CID 67469153) is N,N-dimethylazulene-5-sulfonamide.
What is the SMILES notation for N,N-dimethylazulene-5-sulfonamide?
The canonical SMILES for N,N-dimethylazulene-5-sulfonamide is CN(C)S(=O)(=O)c1cccc2cccc-2c1.
What is the InChIKey of N,N-dimethylazulene-5-sulfonamide?
The InChIKey is BNUJLQQKVHEGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S/c1-13(2)16(14,15)12-8-4-6-10-5-3-7-11(10)9-12/h3-9H,1-2H3.
What are the key properties of N,N-dimethylazulene-5-sulfonamide?
N,N-dimethylazulene-5-sulfonamide has a molecular weight of 235.31 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylazulene-5-sulfonamide is sourced from PubChem (CID 67469153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).