3-[4-chloro-2-hydroxy-3-(1-methylpiperidin-4-ylsulfonyl)phenyl]-1-(2-chloro-3-fluorophenyl)urea

3-[4-chloro-2-hydroxy-3-(1-methylpiperidin-4-ylsulfonyl)phenyl]-1-(2-chloro-3-fluorophenyl)urea

CAS: 1873376-49-8

Formula: C19H20Cl2FN3O4S

SMILES: CN1CCC(CC1)S(=O)(=O)C1=C(Cl)C=CC(NC(=O)NC2=C(Cl)C(F)=CC=C2)=C1O

IUPAC: 3-{4-chloro-2-hydroxy-3-[(1-methylpiperidin-4-yl)sulfonyl]phenyl}-1-(2-chloro-3-fluorophenyl)urea

InChI: InChI=1S/C19H20Cl2FN3O4S/c1-25-9-7-11(8-10-25)30(28,29)18-12(20)5-6-15(17(18)26)24-19(27)23-14-4-2-3-13(22)16(14)21/h2-6,11,26H,7-10H2,1H3,(H2,23,24,27)

Composition: C (47.91%), H (4.23%), Cl (14.88%), F (3.99%), N (8.82%), O (13.43%), S (6.73%)

Molar Mass: 476.34

Atom Count: 50

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	475.0535609
Formal Charge	0
FSP3	0.32
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	BJYOBCUGMDKPBM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	117.15
Topological Polar Surface Area	98.74
Polarizability	44.34
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molnova Chemicals

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	1873376-49-8		$220.15-$1,303.30$220.15$312.64$622.22$931.80$1,303.30