ethyl 5-[(N-phenyl-4-chlorobenzenesulfonamido)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

ethyl 5-[(N-phenyl-4-chlorobenzenesulfonamido)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

CAS: 306978-14-3

Formula: C19H19ClN2O5S

SMILES: CCOC(=O)C1=NOC(CN(C2=CC=CC=C2)S(=O)(=O)C2=CC=C(Cl)C=C2)C1

IUPAC: ethyl 5-[(N-phenyl-4-chlorobenzenesulfonamido)methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate

InChI: InChI=1/C19H19ClN2O5S/c1-2-26-19(23)18-12-16(27-21-18)13-22(15-6-4-3-5-7-15)28(24,25)17-10-8-14(20)9-11-17/h3-11,16H,2,12-13H2,1H3

Composition: C (53.97%), H (4.53%), Cl (8.38%), N (6.62%), O (18.92%), S (7.58%)

Molar Mass: 422.88

Atom Count: 47

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	422.0703206
Formal Charge	0
FSP3	0.26
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	YCSDXWJCICKNCZ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.24
Topological Polar Surface Area	85.27
Polarizability	41.47
Ring Count	3
Rotatable Bond Count	7

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