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3,4-dichloro-N-{2-[(1,1-dioxo-1??,2-benzothiazol-3-yl)amino]ethyl}benzamide

3,4-dichloro-N-{2-[(1,1-dioxo-1??,2-benzothiazol-3-yl)amino]ethyl}benzamide

Formula: C16H13Cl2N3O3S

SMILES: ClC1=CC=C(C=C1Cl)C(=O)NCCNC1=NS(=O)(=O)C2=C1C=CC=C2

IUPAC: 3,4-dichloro-N-{2-[(1,1-dioxo-1??,2-benzothiazol-3-yl)amino]ethyl}benzamide

InChI: InChI=1S/C16H13Cl2N3O3S/c17-12-6-5-10(9-13(12)18)16(22)20-8-7-19-15-11-3-1-2-4-14(11)25(23,24)21-15/h1-6,9H,7-8H2,(H,19,21)(H,20,22)

Composition: C (48.25%), H (3.29%), Cl (17.80%), N (10.55%), O (12.05%), S (8.05%)

Molar Mass: 398.26

Atom Count: 38

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 397.0054679
Formal Charge 0
FSP3 0.12
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey KJGIWCDTAVIFIH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.82
Topological Polar Surface Area 87.63
Polarizability 37.43
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H13Cl2N3O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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