Text Search
Structure Search

2-[(4-chlorophenyl)sulfanyl]-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide

2-[(4-chlorophenyl)sulfanyl]-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide

Formula: C19H17ClN4O3S2

SMILES: CC1=NC(NS(=O)(=O)C2=CC=C(NC(=O)CSC3=CC=C(Cl)C=C3)C=C2)=NC=C1

IUPAC: 2-[(4-chlorophenyl)sulfanyl]-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}acetamide

InChI: InChI=1S/C19H17ClN4O3S2/c1-13-10-11-21-19(22-13)24-29(26,27)17-8-4-15(5-9-17)23-18(25)12-28-16-6-2-14(20)3-7-16/h2-11H,12H2,1H3,(H,23,25)(H,21,22,24)

Composition: C (50.83%), H (3.82%), Cl (7.90%), N (12.48%), O (10.69%), S (14.28%)

Molar Mass: 448.94

Atom Count: 46

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 448.0430605
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey NFCBRBWENDOHLK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 116.17
Topological Polar Surface Area 101.05
Polarizability 44.6
Ring Count 3
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H17ClN4O3S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
Request Quote