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4-[3-(3-fluorophenyl)benzoyl]piperazine-1-sulfonamide

ChemBase ID: 322116
Molecular Formular: C17H18FN3O3S
Molecular Mass: 363.4065232
Monoisotopic Mass: 363.10529067
SMILES and InChIs

SMILES:
S(=O)(=O)(N1CCN(C(=O)c2cc(c3cc(F)ccc3)ccc2)CC1)N
Canonical SMILES:
Fc1cccc(c1)c1cccc(c1)C(=O)N1CCN(CC1)S(=O)(=O)N
InChI:
InChI=1S/C17H18FN3O3S/c18-16-6-2-4-14(12-16)13-3-1-5-15(11-13)17(22)20-7-9-21(10-8-20)25(19,23)24/h1-6,11-12H,7-10H2,(H2,19,23,24)
InChIKey:
JXSASRWDAJZHND-UHFFFAOYSA-N

Cite this record

CBID:322116 http://www.chembase.cn/molecule-322116.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[3-(3-fluorophenyl)benzoyl]piperazine-1-sulfonamide
IUPAC Traditional name
4-[3-(3-fluorophenyl)benzoyl]piperazine-1-sulfonamide
Synonyms
4-[(3'-fluorobiphenyl-3-yl)carbonyl]piperazine-1-sulfonamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 11.418138  H Acceptors
H Donor LogD (pH = 5.5) 1.1741633 
LogD (pH = 7.4) 1.174127  Log P 1.1741638 
Molar Refractivity 92.9794 cm3 Polarizability 37.25089 Å3
Polar Surface Area 83.71 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.05  LOG S -3.2 
Polar Surface Area 83.71 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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