methyl 4-(2,5-dioxo-3-{[(4-sulfamoylphenyl)methyl]amino}pyrrolidin-1-yl)benzoate

methyl 4-(2,5-dioxo-3-{[(4-sulfamoylphenyl)methyl]amino}pyrrolidin-1-yl)benzoate

Formula: C19H19N3O6S

SMILES: COC(=O)C1=CC=C(C=C1)N1C(=O)CC(NCC2=CC=C(C=C2)S(N)(=O)=O)C1=O

IUPAC: methyl 4-(2,5-dioxo-3-{[(4-sulfamoylphenyl)methyl]amino}pyrrolidin-1-yl)benzoate

InChI: InChI=1/C19H19N3O6S/c1-28-19(25)13-4-6-14(7-5-13)22-17(23)10-16(18(22)24)21-11-12-2-8-15(9-3-12)29(20,26)27/h2-9,16,21H,10-11H2,1H3,(H2,20,26,27)

Composition: C (54.67%), H (4.59%), N (10.07%), O (23.00%), S (7.68%)

Molar Mass: 417.44

Atom Count: 48

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	417.099456518
Formal Charge	0
FSP3	0.21
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	LNMQPAOKVNVJEU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.52
Topological Polar Surface Area	135.87
Polarizability	40.97
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H19N3O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00