ethyl 2-[2-(4-bromobenzenesulfonamido)-1,3-thiazol-4-yl]acetate

ethyl 2-[2-(4-bromobenzenesulfonamido)-1,3-thiazol-4-yl]acetate

Formula: C13H13BrN2O4S2

SMILES: CCOC(=O)CC1=CSC(NS(=O)(=O)C2=CC=C(Br)C=C2)=N1

IUPAC: ethyl 2-[2-(4-bromobenzenesulfonamido)-1,3-thiazol-4-yl]acetate

InChI: InChI=1S/C13H13BrN2O4S2/c1-2-20-12(17)7-10-8-21-13(15-10)16-22(18,19)11-5-3-9(14)4-6-11/h3-6,8H,2,7H2,1H3,(H,15,16)

Composition: C (38.53%), H (3.23%), Br (19.72%), N (6.91%), O (15.79%), S (15.82%)

Molar Mass: 405.28

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	403.950012
Formal Charge	0
FSP3	0.23
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	PGUXTMPTPRTMHK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.65
Topological Polar Surface Area	85.36
Polarizability	34.16
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H13BrN2O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00