methyl 3-{[2-methoxy-4-(phenylamino)phenyl]sulfamoyl}thiophene-2-carboxylate

methyl 3-{[2-methoxy-4-(phenylamino)phenyl]sulfamoyl}thiophene-2-carboxylate

CAS: 1014691-61-2

Formula: C19H18N2O5S2

SMILES: COC(=O)C1=C(C=CS1)S(=O)(=O)NC1=C(OC)C=C(NC2=CC=CC=C2)C=C1

IUPAC: methyl 3-{[2-methoxy-4-(phenylamino)phenyl]sulfamoyl}thiophene-2-carboxylate

InChI: InChI=1S/C19H18N2O5S2/c1-25-16-12-14(20-13-6-4-3-5-7-13)8-9-15(16)21-28(23,24)17-10-11-27-18(17)19(22)26-2/h3-12,20-21H,1-2H3

Composition: C (54.53%), H (4.34%), N (6.69%), O (19.12%), S (15.32%)

Molar Mass: 418.48

Atom Count: 46

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	418.065714036
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	NDFKBGWLUHKMFY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	106.75
Topological Polar Surface Area	93.73
Polarizability	41.62
Ring Count	3
Rotatable Bond Count	7

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