3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

Formula: C20H20N4O5S

SMILES: CC1=CC=NC(NS(=O)(=O)C2=CC=C(NC(=O)C3C4CC(C=C4)C3C(O)=O)C=C2)=N1

IUPAC: 3-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid

InChI: InChI=1/C20H20N4O5S/c1-11-8-9-21-20(22-11)24-30(28,29)15-6-4-14(5-7-15)23-18(25)16-12-2-3-13(10-12)17(16)19(26)27/h2-9,12-13,16-17H,10H2,1H3,(H,23,25)(H,26,27)(H,21,22,24)

Composition: C (56.07%), H (4.71%), N (13.08%), O (18.67%), S (7.48%)

Molar Mass: 428.46

Atom Count: 50

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	4
Exact Mass	428.115440934
Formal Charge	0
FSP3	0.3
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	HVEIJRPFCHFENC-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	110.21
Topological Polar Surface Area	138.35
Polarizability	41.86
Ring Count	4
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C20H20N4O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00