2-(N-cyclohexyl-4-bromobenzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide

2-(N-cyclohexyl-4-bromobenzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide

Formula: C22H27BrN2O4S

SMILES: COC1=CC=C(CNC(=O)CN(C2CCCCC2)S(=O)(=O)C2=CC=C(Br)C=C2)C=C1

IUPAC: 2-(N-cyclohexyl-4-bromobenzenesulfonamido)-N-[(4-methoxyphenyl)methyl]acetamide

InChI: InChI=1S/C22H27BrN2O4S/c1-29-20-11-7-17(8-12-20)15-24-22(26)16-25(19-5-3-2-4-6-19)30(27,28)21-13-9-18(23)10-14-21/h7-14,19H,2-6,15-16H2,1H3,(H,24,26)

Composition: C (53.34%), H (5.49%), Br (16.13%), N (5.65%), O (12.92%), S (6.47%)

Molar Mass: 495.43

Atom Count: 57

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	494.087492
Formal Charge	0
FSP3	0.41
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	MZFBDJICYWMFJZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	120.53
Topological Polar Surface Area	75.71
Polarizability	47.55
Ring Count	3
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H27BrN2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00