N-{4-[(4-bromophenyl)sulfamoyl]phenyl}-3,4-dimethoxybenzamide

N-{4-[(4-bromophenyl)sulfamoyl]phenyl}-3,4-dimethoxybenzamide

Formula: C21H19BrN2O5S

SMILES: COC1=CC=C(C=C1OC)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC1=CC=C(Br)C=C1

IUPAC: N-{4-[(4-bromophenyl)sulfamoyl]phenyl}-3,4-dimethoxybenzamide

InChI: InChI=1S/C21H19BrN2O5S/c1-28-19-12-3-14(13-20(19)29-2)21(25)23-16-8-10-18(11-9-16)30(26,27)24-17-6-4-15(22)5-7-17/h3-13,24H,1-2H3,(H,23,25)

Composition: C (51.33%), H (3.90%), Br (16.26%), N (5.70%), O (16.28%), S (6.52%)

Molar Mass: 491.36

Atom Count: 49

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	490.019806
Formal Charge	0
FSP3	0.1
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	QCKHZSCJNQJBRR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	118.97
Topological Polar Surface Area	93.73
Polarizability	45.66
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H19BrN2O5S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00