isoquinoline-5-sulfonyl chloride

isoquinoline-5-sulfonyl chloride

CAS: 84468-15-5

Formula: C9H6ClNO2S

SMILES: ClS(=O)(=O)C1=CC=CC2=CN=CC=C12

IUPAC: isoquinoline-5-sulfonyl chloride

InChI: InChI=1S/C9H6ClNO2S/c10-14(12,13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H

Composition: C (47.48%), H (2.66%), Cl (15.57%), N (6.15%), O (14.06%), S (14.08%)

Molar Mass: 227.66

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	226.9807773
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	WHIDHHUCCTYJKA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.55
Topological Polar Surface Area	47.03
Polarizability	22.96
Ring Count	2
Rotatable Bond Count	1

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