4-methyl-N-[3-(N-methylmethanesulfonamido)phenyl]-3-(piperidine-1-sulfonyl)benzamide

4-methyl-N-[3-(N-methylmethanesulfonamido)phenyl]-3-(piperidine-1-sulfonyl)benzamide

Formula: C21H27N3O5S2

SMILES: CN(C1=CC(NC(=O)C2=CC=C(C)C(=C2)S(=O)(=O)N2CCCCC2)=CC=C1)S(C)(=O)=O

IUPAC: 4-methyl-N-[3-(N-methylmethanesulfonamido)phenyl]-3-(piperidine-1-sulfonyl)benzamide

InChI: InChI=1S/C21H27N3O5S2/c1-16-10-11-17(14-20(16)31(28,29)24-12-5-4-6-13-24)21(25)22-18-8-7-9-19(15-18)23(2)30(3,26)27/h7-11,14-15H,4-6,12-13H2,1-3H3,(H,22,25)

Composition: C (54.18%), H (5.85%), N (9.03%), O (17.18%), S (13.77%)

Molar Mass: 465.58

Atom Count: 58

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	465.139213329
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	FGXZUUPATGYKRK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	122.31
Topological Polar Surface Area	103.86
Polarizability	47.49
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C21H27N3O5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00