Text Search
Structure Search

3-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-4-nitrobenzamide

3-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-4-nitrobenzamide

Formula: C19H17N5O5S

SMILES: CC1=CC=NC(NS(=O)(=O)C2=CC=C(NC(=O)C3=CC=C(C(C)=C3)[N+]([O-])=O)C=C2)=N1

IUPAC: 3-methyl-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-4-nitrobenzamide

InChI: InChI=1S/C19H17N5O5S/c1-12-11-14(3-8-17(12)24(26)27)18(25)22-15-4-6-16(7-5-15)30(28,29)23-19-20-10-9-13(2)21-19/h3-11H,1-2H3,(H,22,25)(H,20,21,23)

Composition: C (53.39%), H (4.01%), N (16.38%), O (18.72%), S (7.50%)

Molar Mass: 427.44

Atom Count: 47

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 427.095039841
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 2
InChIKey BGCZGDQTTXZWJT-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 110.99
Topological Polar Surface Area 144.19
Polarizability 41.5
Ring Count 3
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H17N5O5S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote