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4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide

CAS: 684236-01-9

Formula: C17H17N3O4S2

SMILES: COC1=C(O)C(CNC2=CC=C(C=C2)S(=O)(=O)NC2=NC=CS2)=CC=C1

IUPAC: 4-{[(2-hydroxy-3-methoxyphenyl)methyl]amino}-N-(1,3-thiazol-2-yl)benzene-1-sulfonamide

InChI: InChI=1S/C17H17N3O4S2/c1-24-15-4-2-3-12(16(15)21)11-19-13-5-7-14(8-6-13)26(22,23)20-17-18-9-10-25-17/h2-10,19,21H,11H2,1H3,(H,18,20)

Composition: C (52.16%), H (4.38%), N (10.73%), O (16.35%), S (16.38%)

Molar Mass: 391.46

Atom Count: 43

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 391.066048387
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 6
Hydrogen Bond Donor Count 3
InChIKey CENSVXZQMJBVHY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 100.82
Topological Polar Surface Area 100.55
Polarizability 38.73
Ring Count 3
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
98.15% <7 Days 684236-01-9 $48.62-$977.08$48.62$102.85$174.85$359.98$565.68$977.08
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