1,4-dimethyl 2-(4-bromobenzenesulfonamido)benzene-1,4-dicarboxylate

1,4-dimethyl 2-(4-bromobenzenesulfonamido)benzene-1,4-dicarboxylate

Formula: C16H14BrNO6S

SMILES: COC(=O)C1=CC=C(C(=O)OC)C(NS(=O)(=O)C2=CC=C(Br)C=C2)=C1

IUPAC: 1,4-dimethyl 2-(4-bromobenzenesulfonamido)benzene-1,4-dicarboxylate

InChI: InChI=1S/C16H14BrNO6S/c1-23-15(19)10-3-8-13(16(20)24-2)14(9-10)18-25(21,22)12-6-4-11(17)5-7-12/h3-9,18H,1-2H3

Composition: C (44.87%), H (3.30%), Br (18.66%), N (3.27%), O (22.42%), S (7.49%)

Molar Mass: 428.25

Atom Count: 39

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	426.972521
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	JTUJSAYEAIVACS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	94.56
Topological Polar Surface Area	98.77
Polarizability	37.03
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H14BrNO6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00