Home > Compound List > Compound details
 molecular structure
click picture or here to close

3-{[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)sulfamoyl}-N,N-dimethylbenzamide

ChemBase ID: 340909
Molecular Formular: C16H22N4O3S
Molecular Mass: 350.43588
Monoisotopic Mass: 350.14126158
SMILES and InChIs

SMILES:
S(=O)(=O)(N(Cc1c([nH]nc1C)C)C)c1cc(C(=O)N(C)C)ccc1
Canonical SMILES:
O=C(c1cccc(c1)S(=O)(=O)N(Cc1c(C)n[nH]c1C)C)N(C)C
InChI:
InChI=1S/C16H22N4O3S/c1-11-15(12(2)18-17-11)10-20(5)24(22,23)14-8-6-7-13(9-14)16(21)19(3)4/h6-9H,10H2,1-5H3,(H,17,18)
InChIKey:
XJSQOPJWPAODPD-UHFFFAOYSA-N

Cite this record

CBID:340909 http://www.chembase.cn/molecule-340909.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)sulfamoyl}-N,N-dimethylbenzamide
IUPAC Traditional name
3-{[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)sulfamoyl}-N,N-dimethylbenzamide
Synonyms
3-{[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino]sulfonyl}-N,N-dimethylbenzamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 13946561 external link Add to cart
Data Source Data ID Price
ChemBridge
13946561 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.033831  H Acceptors
H Donor LogD (pH = 5.5) 0.68142337 
LogD (pH = 7.4) 0.68417454  Log P 0.68420976 
Molar Refractivity 94.9223 cm3 Polarizability 35.764877 Å3
Polar Surface Area 86.37 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.87  LOG S -2.5 
Polar Surface Area 86.37 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle