ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate

ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate

Formula: C17H19N3O4S2

SMILES: CCOC(=O)C1=CC=C(NC(=S)NCC2=CC=C(C=C2)S(N)(=O)=O)C=C1

IUPAC: ethyl 4-({[(4-sulfamoylphenyl)methyl]carbamothioyl}amino)benzoate

InChI: InChI=1S/C17H19N3O4S2/c1-2-24-16(21)13-5-7-14(8-6-13)20-17(25)19-11-12-3-9-15(10-4-12)26(18,22)23/h3-10H,2,11H2,1H3,(H2,18,22,23)(H2,19,20,25)

Composition: C (51.89%), H (4.87%), N (10.68%), O (16.26%), S (16.30%)

Molar Mass: 393.48

Atom Count: 45

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	393.081698452
Formal Charge	0
FSP3	0.18
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	3
InChIKey	HUTHQJQVODJYED-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.03
Topological Polar Surface Area	110.52
Polarizability	40.85
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H19N3O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00