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N-[4-(dimethylsulfamoyl)phenyl]-4-(pyridin-2-yl)piperazine-1-carboxamide

N-[4-(dimethylsulfamoyl)phenyl]-4-(pyridin-2-yl)piperazine-1-carboxamide

CAS: 692733-02-1

Formula: C18H23N5O3S

SMILES: CN(C)S(=O)(=O)C1=CC=C(NC(=O)N2CCN(CC2)C2=NC=CC=C2)C=C1

IUPAC: N-[4-(dimethylsulfamoyl)phenyl]-4-(pyridin-2-yl)piperazine-1-carboxamide

InChI: InChI=1S/C18H23N5O3S/c1-21(2)27(25,26)16-8-6-15(7-9-16)20-18(24)23-13-11-22(12-14-23)17-5-3-4-10-19-17/h3-10H,11-14H2,1-2H3,(H,20,24)

Composition: C (55.51%), H (5.95%), N (17.98%), O (12.32%), S (8.23%)

Molar Mass: 389.47

Atom Count: 50

Heavy Atom Count: 27

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 389.152160795
Formal Charge 0
FSP3 0.33
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey VTSLLNLJZOUUHY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 106.05
Topological Polar Surface Area 85.85
Polarizability 39.96
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 692733-02-1 $51.35-$524.40$51.35$63.37$86.31$524.40
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