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4-(5-aminopyrazin-2-yl)-N-tert-butylbenzene-1-sulfonamide

ChemBase ID: 410517
Molecular Formular: C14H18N4O2S
Molecular Mass: 306.38332
Monoisotopic Mass: 306.11504684
SMILES and InChIs

SMILES:
S(=O)(=O)(NC(C)(C)C)c1ccc(c2ncc(nc2)N)cc1
Canonical SMILES:
Nc1cnc(cn1)c1ccc(cc1)S(=O)(=O)NC(C)(C)C
InChI:
InChI=1S/C14H18N4O2S/c1-14(2,3)18-21(19,20)11-6-4-10(5-7-11)12-8-17-13(15)9-16-12/h4-9,18H,1-3H3,(H2,15,17)
InChIKey:
DORJXIPAZFPOQA-UHFFFAOYSA-N

Cite this record

CBID:410517 http://www.chembase.cn/molecule-410517.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(5-aminopyrazin-2-yl)-N-tert-butylbenzene-1-sulfonamide
IUPAC Traditional name
4-(5-aminopyrazin-2-yl)-N-tert-butylbenzenesulfonamide
Synonyms
4-(5-aminopyrazin-2-yl)-N-(tert-butyl)benzenesulfonamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 10.0106945  H Acceptors
H Donor LogD (pH = 5.5) 1.2200443 
LogD (pH = 7.4) 1.2192315  Log P 1.2201747 
Molar Refractivity 82.3825 cm3 Polarizability 33.259357 Å3
Polar Surface Area 97.97 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.2  LOG S -3.31 
Polar Surface Area 97.97 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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