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2-[N-(3-chlorophenyl)methanesulfonamido]-N-(3-nitrophenyl)propanamide

2-[N-(3-chlorophenyl)methanesulfonamido]-N-(3-nitrophenyl)propanamide

Formula: C16H16ClN3O5S

SMILES: CC(N(C1=CC=CC(Cl)=C1)S(C)(=O)=O)C(=O)NC1=CC=CC(=C1)[N+]([O-])=O

IUPAC: 2-[N-(3-chlorophenyl)methanesulfonamido]-N-(3-nitrophenyl)propanamide

InChI: InChI=1/C16H16ClN3O5S/c1-11(16(21)18-13-6-4-8-15(10-13)20(22)23)19(26(2,24)25)14-7-3-5-12(17)9-14/h3-11H,1-2H3,(H,18,21)

Composition: C (48.31%), H (4.05%), Cl (8.91%), N (10.56%), O (20.11%), S (8.06%)

Molar Mass: 397.83

Atom Count: 42

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 397.0499195
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey YPFORZDQUFGKPC-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.62
Topological Polar Surface Area 109.62
Polarizability 37.65
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H16ClN3O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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