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1823955-39-0 | 3-methylisoquinoline-5-sulfonamide
CAS No: 1823955-39-0 Catalog No: AG01B1EI MDL No:MFCD27959521
Product Description
Catalog Number:
AG01B1EI
Chemical Name:
3-methylisoquinoline-5-sulfonamide
CAS Number:
1823955-39-0
Molecular Formula:
C10H10N2O2S
Molecular Weight:
222.2636
MDL Number:
MFCD27959521
IUPAC Name:
3-methylisoquinoline-5-sulfonamide
InChI:
InChI=1S/C10H10N2O2S/c1-7-5-9-8(6-12-7)3-2-4-10(9)15(11,13)14/h2-6H,1H3,(H2,11,13,14)
InChI Key:
OFBWLUCHBZRQJM-UHFFFAOYSA-N
SMILES:
Cc1ncc2c(c1)c(ccc2)S(=O)(=O)N
Properties
Complexity:
323
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.262g/mol
Monoisotopic Mass:
222.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
81.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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