2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]pyrimidine

2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]pyrimidine

Formula: C15H18N4O2S

SMILES: CC1=CC=C(C=C1)S(=O)(=O)N1CCN(CC1)C1=NC=CC=N1

IUPAC: 2-[4-(4-methylbenzenesulfonyl)piperazin-1-yl]pyrimidine

InChI: InChI=1S/C15H18N4O2S/c1-13-3-5-14(6-4-13)22(20,21)19-11-9-18(10-12-19)15-16-7-2-8-17-15/h2-8H,9-12H2,1H3

Composition: C (56.59%), H (5.70%), N (17.60%), O (10.05%), S (10.07%)

Molar Mass: 318.4

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	318.11504701
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	VSPWPLLVPZWAEN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.21
Topological Polar Surface Area	66.4
Polarizability	32.96
Ring Count	3
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C15H18N4O2S		Quote Only