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84468-26-8 | N-(2-methylpropyl)isoquinoline-5-sulfonamide
CAS No: 84468-26-8 Catalog No: AG01BAF1 MDL No:MFCD11986509
Product Description
Catalog Number:
AG01BAF1
Chemical Name:
N-(2-methylpropyl)isoquinoline-5-sulfonamide
CAS Number:
84468-26-8
Molecular Formula:
C13H16N2O2S
Molecular Weight:
264.3433
MDL Number:
MFCD11986509
IUPAC Name:
N-(2-methylpropyl)isoquinoline-5-sulfonamide
InChI:
InChI=1S/C13H16N2O2S/c1-10(2)8-15-18(16,17)13-5-3-4-11-9-14-7-6-12(11)13/h3-7,9-10,15H,8H2,1-2H3
InChI Key:
PVLBCSNXNFWPNM-UHFFFAOYSA-N
SMILES:
CC(CNS(=O)(=O)c1cccc2c1ccnc2)C
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.093g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.343g/mol
Monoisotopic Mass:
264.093g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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