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5-methoxy-3-(4-methylbenzenesulfonyl)-1H-indole

5-methoxy-3-(4-methylbenzenesulfonyl)-1H-indole

Formula: C16H15NO3S

SMILES: COC1=CC=C2NC=C(C2=C1)S(=O)(=O)C1=CC=C(C)C=C1

IUPAC: 5-methoxy-3-(4-methylbenzenesulfonyl)-1H-indole

InChI: InChI=1S/C16H15NO3S/c1-11-3-6-13(7-4-11)21(18,19)16-10-17-15-8-5-12(20-2)9-14(15)16/h3-10,17H,1-2H3

Composition: C (63.77%), H (5.02%), N (4.65%), O (15.93%), S (10.64%)

Molar Mass: 301.36

Atom Count: 36

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 301.077264521
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey JUJNCZPULGUPCH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 82.18
Topological Polar Surface Area 59.16
Polarizability 33.89
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H15NO3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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