N-{4-[(3,4-dimethylphenyl)sulfamoyl]phenyl}-2-{3-oxo-2-azatricyclo[6.3.1.0?,¹²]dodeca-1(11),4(12),5,7,9-pentaen-2-yl}acetamide

N-{4-[(3,4-dimethylphenyl)sulfamoyl]phenyl}-2-{3-oxo-2-azatricyclo[6.3.1.0?,¹²]dodeca-1(11),4(12),5,7,9-pentaen-2-yl}acetamide

Formula: C27H23N3O4S

SMILES: CC1=CC=C(NS(=O)(=O)C2=CC=C(NC(=O)CN3C(=O)C4=C5C3=CC=CC5=CC=C4)C=C2)C=C1C

IUPAC: N-{4-[(3,4-dimethylphenyl)sulfamoyl]phenyl}-2-{3-oxo-2-azatricyclo[6.3.1.0?,¹²]dodeca-1(11),4(12),5,7,9-pentaen-2-yl}acetamide

InChI: InChI=1S/C27H23N3O4S/c1-17-9-10-21(15-18(17)2)29-35(33,34)22-13-11-20(12-14-22)28-25(31)16-30-24-8-4-6-19-5-3-7-23(26(19)24)27(30)32/h3-15,29H,16H2,1-2H3,(H,28,31)

Composition: C (66.79%), H (4.77%), N (8.65%), O (13.18%), S (6.60%)

Molar Mass: 485.56

Atom Count: 58

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	485.140927407
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	MIFMKJCDVKURPD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	136.38
Topological Polar Surface Area	95.58
Polarizability	52.98
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C27H23N3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00