N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide
Thuốc Gốc
Small Molecule
CTHH: C23H22ClN3O3S
PTK: 455.957
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
455.957
Monoisotopic mass
455.107039982
InChI
InChI=1S/C23H22ClN3O3S/c1-13-14(2)22(25-15(13)3)12-20-19-11-18(8-9-21(19)26-23(20)28)31(29,30)27(4)17-7-5-6-16(24)10-17/h5-11,25H,12H2,1-4H3
InChI Key
InChIKey=YMJLSOJLEXWATP-UHFFFAOYSA-N
IUPAC Name
N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide
Traditional IUPAC Name
N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]indole-5-sulfonamide
SMILES
CN(C1=CC(Cl)=CC=C1)S(=O)(=O)C1=CC2=C(CC3=C(C)C(C)=C(C)N3)C(=O)N=C2C=C1
Độ hòa tan
1.14e-03 g/l
logP
3.77
logS
-5.6
pKa (strongest acidic)
18.21
pKa (Strongest Basic)
-0.061
PSA
82.6 Å2
Refractivity
126.45 m3·mol-1
Polarizability
46.42 Å3
Rotatable Bond Count
4
H Bond Acceptor Count
4
H Bond Donor Count
1
Physiological Charge
0
Number of Rings
4
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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