4-(dimethylsulfamoyl)-N-{3-[(1,1-dioxo-1??,2-benzothiazol-3-yl)amino]-2,2-dimethylpropyl}benzamide

4-(dimethylsulfamoyl)-N-{3-[(1,1-dioxo-1??,2-benzothiazol-3-yl)amino]-2,2-dimethylpropyl}benzamide

Formula: C21H26N4O5S2

SMILES: CN(C)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(C)(C)CNC1=NS(=O)(=O)C2=C1C=CC=C2

IUPAC: 4-(dimethylsulfamoyl)-N-{3-[(1,1-dioxo-1??,2-benzothiazol-3-yl)amino]-2,2-dimethylpropyl}benzamide

InChI: InChI=1S/C21H26N4O5S2/c1-21(2,13-22-19-17-7-5-6-8-18(17)31(27,28)24-19)14-23-20(26)15-9-11-16(12-10-15)32(29,30)25(3)4/h5-12H,13-14H2,1-4H3,(H,22,24)(H,23,26)

Composition: C (52.70%), H (5.48%), N (11.71%), O (16.72%), S (13.40%)

Molar Mass: 478.58

Atom Count: 58

Heavy Atom Count: 32

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	478.134462301
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	2
InChIKey	PRCYVBRBQSQHEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.79
Topological Polar Surface Area	125.01
Polarizability	48.09
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H26N4O5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00