-
N-cyclobutyl-3-{[2-(ethylsulfanyl)ethyl]sulfamoyl}benzamide
-
ChemBase ID:
470234
-
Molecular Formular:
C15H22N2O3S2
-
Molecular Mass:
342.47678
-
Monoisotopic Mass:
342.10718457
-
SMILES and InChIs
SMILES:
S(=O)(=O)(c1cc(C(=O)NC2CCC2)ccc1)NCCSCC
Canonical SMILES:
CCSCCNS(=O)(=O)c1cccc(c1)C(=O)NC1CCC1
InChI:
InChI=1S/C15H22N2O3S2/c1-2-21-10-9-16-22(19,20)14-8-3-5-12(11-14)15(18)17-13-6-4-7-13/h3,5,8,11,13,16H,2,4,6-7,9-10H2,1H3,(H,17,18)
InChIKey:
YCOUAPVVLCCQFW-UHFFFAOYSA-N
-
Cite this record
CBID:470234 http://www.chembase.cn/molecule-470234.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
N-cyclobutyl-3-{[2-(ethylsulfanyl)ethyl]sulfamoyl}benzamide
|
|
|
IUPAC Traditional name
|
N-cyclobutyl-3-{[2-(ethylsulfanyl)ethyl]sulfamoyl}benzamide
|
|
|
Synonyms
|
N-cyclobutyl-3-({[2-(ethylthio)ethyl]amino}sulfonyl)benzamide
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
9.881399
|
H Acceptors
|
3
|
H Donor
|
2
|
LogD (pH = 5.5)
|
1.8327851
|
LogD (pH = 7.4)
|
1.8315337
|
Log P
|
1.8328013
|
Molar Refractivity
|
90.8236 cm3
|
Polarizability
|
35.522873 Å3
|
Polar Surface Area
|
75.27 Å2
|
Rotatable Bonds
|
7
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
3
|
H Donor
|
2
|
Log P
|
2.34
|
LOG S
|
-3.7
|
Polar Surface Area
|
75.27 Å2
|
Rotatable Bonds
|
7
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent