4-(3-bromobenzenesulfonyl)-N-[(1S)-1-(thiophen-2-yl)ethyl]piperazine-1-carboxamide

4-(3-bromobenzenesulfonyl)-N-[(1S)-1-(thiophen-2-yl)ethyl]piperazine-1-carboxamide

Formula: C17H20BrN3O3S2

SMILES: C[C@H](NC(=O)N1CCN(CC1)S(=O)(=O)C1=CC=CC(Br)=C1)C1=CC=CS1

IUPAC: 4-(3-bromobenzenesulfonyl)-N-[(1S)-1-(thiophen-2-yl)ethyl]piperazine-1-carboxamide

InChI: InChI=1S/C17H20BrN3O3S2/c1-13(16-6-3-11-25-16)19-17(22)20-7-9-21(10-8-20)26(23,24)15-5-2-4-14(18)12-15/h2-6,11-13H,7-10H2,1H3,(H,19,22)/t13-/m0/s1

Composition: C (44.54%), H (4.40%), Br (17.43%), N (9.17%), O (10.47%), S (13.99%)

Molar Mass: 458.39

Atom Count: 46

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	457.012947
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PNTQVMBKHCOLQD-ZDUSSCGKSA-N
Lipinski's Rule of Five	1
Molar Refractivity	105.45
Topological Polar Surface Area	69.72
Polarizability	41.27
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
99.08%	<7 Days	C17H20BrN3O3S2		$523.60-$2,748.90$523.60$785.40$1,402.50$1,963.50$2,748.90

Molnova Chemicals

Supplier Profile

Purity	LeadTime	Formula	PacketSize	UnitPrice
98%	<4 Days	C17H20BrN3O3S2		$456.64-$2,932.55$456.64$762.59$1,113.18$1,891.89$2,932.55