1-[(2-AMINO-4-CHLORO-5-METHYLPHENYL)SULFONYL]-L-PROLINE
Thuốc Gốc
Small Molecule
CTHH: C12H15ClN2O4S
PTK: 318.777
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
318.777
Monoisotopic mass
318.044105375
InChI
InChI=1S/C12H15ClN2O4S/c1-7-5-11(9(14)6-8(7)13)20(18,19)15-4-2-3-10(15)12(16)17/h5-6,10H,2-4,14H2,1H3,(H,16,17)/t10-/m0/s1
InChI Key
InChIKey=OWYKAFABUYXQLE-JTQLQIEISA-N
IUPAC Name
(2S)-1-[(2-amino-4-chloro-5-methylbenzene)sulfonyl]pyrrolidine-2-carboxylic acid
Traditional IUPAC Name
(2S)-1-(2-amino-4-chloro-5-methylbenzenesulfonyl)pyrrolidine-2-carboxylic acid
SMILES
[H][C@]1(CCCN1S(=O)(=O)C1=C(N)C=C(Cl)C(C)=C1)C(O)=O
Độ hòa tan
1.51e+00 g/l
logP
1.41
logS
-2.3
pKa (strongest acidic)
3.22
pKa (Strongest Basic)
1.13
PSA
100.7 Å2
Refractivity
75.93 m3·mol-1
Polarizability
30.24 Å3
Rotatable Bond Count
2
H Bond Acceptor Count
5
H Bond Donor Count
2
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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