Tìm theo
N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE
Thuốc Gốc
Small Molecule
CTHH: C15H15ClN2O2S
PTK: 322.81
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H15ClN2O2S
Phân tử khối
322.81
Monoisotopic mass
322.054276131
InChI
InChI=1S/C15H15ClN2O2S/c16-13-2-4-14(5-3-13)18-21(19,20)15-6-1-11-7-8-17-10-12(11)9-15/h1-6,9,17-18H,7-8,10H2
InChI Key
InChIKey=UVSIFVBCHJEYJP-UHFFFAOYSA-N
IUPAC Name
N-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Traditional IUPAC Name
N-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
SMILES
ClC1=CC=C(NS(=O)(=O)C2=CC=C3CCNCC3=C2)C=C1
Độ hòa tan
1.37e-02 g/l
logP
1.77
logS
-4.4
pKa (strongest acidic)
7.74
pKa (Strongest Basic)
8.83
PSA
58.2 Å2
Refractivity
84.25 m3·mol-1
Polarizability
31.66 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
3
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
http://www.drugbank.ca/drugs/DB08631
PubChem Compound
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=12606920
PubChem Substance
http://pubchem.ncbi.nlm.nih.gov/summary/summary.cgi?sid=99445102
ChemSpider
http://www.chemspider.com/Chemical-Structure.14714386.html
... loading
... loading