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N-[1-(1-phenyl-1H-1,2,3-triazole-4-carbonyl)piperidin-4-yl]methanesulfonamide

ChemBase ID: 320182
Molecular Formular: C15H19N5O3S
Molecular Mass: 349.40806
Monoisotopic Mass: 349.12086049
SMILES and InChIs

SMILES:
c1(nnn(c1)c1ccccc1)C(=O)N1CCC(NS(=O)(=O)C)CC1
Canonical SMILES:
O=C(c1nnn(c1)c1ccccc1)N1CCC(CC1)NS(=O)(=O)C
InChI:
InChI=1S/C15H19N5O3S/c1-24(22,23)17-12-7-9-19(10-8-12)15(21)14-11-20(18-16-14)13-5-3-2-4-6-13/h2-6,11-12,17H,7-10H2,1H3
InChIKey:
KJXSNNAKNYOABI-UHFFFAOYSA-N

Cite this record

CBID:320182 http://www.chembase.cn/molecule-320182.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[1-(1-phenyl-1H-1,2,3-triazole-4-carbonyl)piperidin-4-yl]methanesulfonamide
IUPAC Traditional name
N-[1-(1-phenyl-1,2,3-triazole-4-carbonyl)piperidin-4-yl]methanesulfonamide
Synonyms
N-{1-[(1-phenyl-1H-1,2,3-triazol-4-yl)carbonyl]-4-piperidinyl}methanesulfonamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 10972015 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)
H Acceptors H Donor
LogD (pH = 5.5) -0.11290599  LogD (pH = 7.4) -0.11293447 
Log P -0.112905554  Molar Refractivity 89.7031 cm3
Polarizability 35.05781 Å3 Polar Surface Area 97.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 
Acid pKa 11.52409 
H Acceptors H Donor
Log P -0.66  LOG S -2.49 
Polar Surface Area 97.19 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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