1-chloroisoquinoline-5-sulfonyl chloride

1-chloroisoquinoline-5-sulfonyl chloride

CAS: 141519-77-9

Formula: C9H5Cl2NO2S

SMILES: ClC1=NC=CC2=C(C=CC=C12)S(Cl)(=O)=O

IUPAC: 1-chloroisoquinoline-5-sulfonyl chloride

InChI: InChI=1S/C9H5Cl2NO2S/c10-9-7-2-1-3-8(15(11,13)14)6(7)4-5-12-9/h1-5H

Composition: C (41.24%), H (1.92%), Cl (27.05%), N (5.34%), O (12.21%), S (12.23%)

Molar Mass: 262.1

Atom Count: 20

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	260.941805
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LAFGPNHTRJDGQR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.41
Topological Polar Surface Area	47.03
Polarizability	24.94
Ring Count	2
Rotatable Bond Count	1

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