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N-cyclopropyl-4-{[2-(oxan-3-yl)ethyl]sulfamoyl}benzamide

ChemBase ID: 341001
Molecular Formular: C17H24N2O4S
Molecular Mass: 352.44846
Monoisotopic Mass: 352.14567826
SMILES and InChIs

SMILES:
S(=O)(=O)(c1ccc(C(=O)NC2CC2)cc1)NCCC1COCCC1
Canonical SMILES:
O=C(c1ccc(cc1)S(=O)(=O)NCCC1CCCOC1)NC1CC1
InChI:
InChI=1S/C17H24N2O4S/c20-17(19-15-5-6-15)14-3-7-16(8-4-14)24(21,22)18-10-9-13-2-1-11-23-12-13/h3-4,7-8,13,15,18H,1-2,5-6,9-12H2,(H,19,20)
InChIKey:
ZYUDFMGBKSQUGN-UHFFFAOYSA-N

Cite this record

CBID:341001 http://www.chembase.cn/molecule-341001.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclopropyl-4-{[2-(oxan-3-yl)ethyl]sulfamoyl}benzamide
IUPAC Traditional name
N-cyclopropyl-4-{[2-(oxan-3-yl)ethyl]sulfamoyl}benzamide
Synonyms
N-cyclopropyl-4-({[2-(tetrahydro-2H-pyran-3-yl)ethyl]amino}sulfonyl)benzamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13957716 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 9.898062  H Acceptors
H Donor LogD (pH = 5.5) 1.2091736 
LogD (pH = 7.4) 1.2079691  Log P 1.209189 
Molar Refractivity 92.1934 cm3 Polarizability 36.12821 Å3
Polar Surface Area 84.5 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.23  LOG S -2.82 
Polar Surface Area 84.5 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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