4-chloro-N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-3-(pyrrolidine-1-sulfonyl)benzamide

4-chloro-N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-3-(pyrrolidine-1-sulfonyl)benzamide

Formula: C21H22ClN3O4S

SMILES: ClC1=CC=C(C=C1S(=O)(=O)N1CCCC1)C(=O)NC1=CC=CC=C1C(=O)NCC=C

IUPAC: 4-chloro-N-{2-[(prop-2-en-1-yl)carbamoyl]phenyl}-3-(pyrrolidine-1-sulfonyl)benzamide

InChI: InChI=1S/C21H22ClN3O4S/c1-2-11-23-21(27)16-7-3-4-8-18(16)24-20(26)15-9-10-17(22)19(14-15)30(28,29)25-12-5-6-13-25/h2-4,7-10,14H,1,5-6,11-13H2,(H,23,27)(H,24,26)

Composition: C (56.31%), H (4.95%), Cl (7.91%), N (9.38%), O (14.29%), S (7.16%)

Molar Mass: 447.93

Atom Count: 52

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	447.1019551
Formal Charge	0
FSP3	0.24
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	DAGXRYAUGIGMRX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.03
Topological Polar Surface Area	95.58
Polarizability	44.92
Ring Count	3
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H22ClN3O4S		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00