4-[(1E)-2-cyano-2-[(2,3-dichlorophenyl)carbamoyl]eth-1-en-1-yl]phenyl naphthalene-2-sulfonate

4-[(1E)-2-cyano-2-[(2,3-dichlorophenyl)carbamoyl]eth-1-en-1-yl]phenyl naphthalene-2-sulfonate

Formula: C26H16Cl2N2O4S

SMILES: ClC1=C(Cl)C(NC(=O)C(=CC2=CC=C(OS(=O)(=O)C3=CC4=CC=CC=C4C=C3)C=C2)C#N)=CC=C1

IUPAC: 4-[(1E)-2-cyano-2-[(2,3-dichlorophenyl)carbamoyl]eth-1-en-1-yl]phenyl naphthalene-2-sulfonate

InChI: InChI=1S/C26H16Cl2N2O4S/c27-23-6-3-7-24(25(23)28)30-26(31)20(16-29)14-17-8-11-21(12-9-17)34-35(32,33)22-13-10-18-4-1-2-5-19(18)15-22/h1-15H,(H,30,31)/b20-14+

Composition: C (59.67%), H (3.08%), Cl (13.55%), N (5.35%), O (12.23%), S (6.13%)

Molar Mass: 523.38

Atom Count: 51

Heavy Atom Count: 35

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	522.0207836
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	YBFSCFYBRRCXDK-XSFVSMFZSA-N
Lipinski's Rule of Five
Molar Refractivity	137.33
Topological Polar Surface Area	96.26
Polarizability	53.76
Ring Count	4
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C26H16Cl2N2O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00