2-[N-(5-chloro-2-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamido]-N-ethylacetamide

2-[N-(5-chloro-2-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamido]-N-ethylacetamide

Formula: C18H20ClN3O6S

SMILES: CCNC(=O)CN(C1=CC(Cl)=CC=C1OC)S(=O)(=O)C1=CC=C(C)C(=C1)[N+]([O-])=O

IUPAC: 2-[N-(5-chloro-2-methoxyphenyl)-4-methyl-3-nitrobenzenesulfonamido]-N-ethylacetamide

InChI: InChI=1S/C18H20ClN3O6S/c1-4-20-18(23)11-21(16-9-13(19)6-8-17(16)28-3)29(26,27)14-7-5-12(2)15(10-14)22(24)25/h5-10H,4,11H2,1-3H3,(H,20,23)

Composition: C (48.93%), H (4.56%), Cl (8.02%), N (9.51%), O (21.72%), S (7.26%)

Molar Mass: 441.88

Atom Count: 49

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	441.0761343
Formal Charge	0
FSP3	0.28
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	BAVJLIWCIZFMKZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	107.97
Topological Polar Surface Area	118.85
Polarizability	41.93
Ring Count	2
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C18H20ClN3O6S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00