6-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)cyclohex-3-ene-1-carboxylic acid

6-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)cyclohex-3-ene-1-carboxylic acid

Formula: C19H20N4O5S

SMILES: CC1=CC=NC(NS(=O)(=O)C2=CC=C(NC(=O)C3CC=CCC3C(O)=O)C=C2)=N1

IUPAC: 6-({4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}carbamoyl)cyclohex-3-ene-1-carboxylic acid

InChI: InChI=1/C19H20N4O5S/c1-12-10-11-20-19(21-12)23-29(27,28)14-8-6-13(7-9-14)22-17(24)15-4-2-3-5-16(15)18(25)26/h2-3,6-11,15-16H,4-5H2,1H3,(H,22,24)(H,25,26)(H,20,21,23)

Composition: C (54.80%), H (4.84%), N (13.45%), O (19.21%), S (7.70%)

Molar Mass: 416.45

Atom Count: 49

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	416.115440934
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	SQHFGAIYNPNRJI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.51
Topological Polar Surface Area	138.35
Polarizability	40.74
Ring Count	3
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C19H20N4O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00