2-[N-(4-methylphenyl)-4-fluorobenzenesulfonamido]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

2-[N-(4-methylphenyl)-4-fluorobenzenesulfonamido]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

Formula: C25H26FN3O5S2

SMILES: CC1=CC=C(C=C1)N(CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N1CCCC1)S(=O)(=O)C1=CC=C(F)C=C1

IUPAC: 2-[N-(4-methylphenyl)-4-fluorobenzenesulfonamido]-N-[4-(pyrrolidine-1-sulfonyl)phenyl]acetamide

InChI: InChI=1S/C25H26FN3O5S2/c1-19-4-10-22(11-5-19)29(36(33,34)24-12-6-20(26)7-13-24)18-25(30)27-21-8-14-23(15-9-21)35(31,32)28-16-2-3-17-28/h4-15H,2-3,16-18H2,1H3,(H,27,30)

Composition: C (56.48%), H (4.93%), F (3.57%), N (7.90%), O (15.05%), S (12.06%)

Molar Mass: 531.62

Atom Count: 62

Heavy Atom Count: 36

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	531.12979146
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	FROCVTRHOYTMRY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	136.9
Topological Polar Surface Area	103.86
Polarizability	53.07
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H26FN3O5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00