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1-(4-methylbenzenesulfonyl)imidazo[1,5-a]pyridine

1-(4-methylbenzenesulfonyl)imidazo[1,5-a]pyridine

CAS: 904813-28-1

Formula: C14H12N2O2S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)C1=C2C=CC=CN2C=N1

IUPAC: 1-(4-methylbenzenesulfonyl)imidazo[1,5-a]pyridine

InChI: InChI=1S/C14H12N2O2S/c1-11-5-7-12(8-6-11)19(17,18)14-13-4-2-3-9-16(13)10-15-14/h2-10H,1H3

Composition: C (61.75%), H (4.44%), N (10.29%), O (11.75%), S (11.77%)

Molar Mass: 272.32

Atom Count: 31

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 272.061948808
Formal Charge 0
FSP3 0.07
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey MRNVHPOYKGDXQJ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.22
Topological Polar Surface Area 51.44
Polarizability 29.8
Ring Count 3
Rotatable Bond Count 2

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