3-[4-(2,5-dimethylphenyl)piperazin-1-ylsulfonyl]thiophene-2-carboxylic acid

3-[4-(2,5-dimethylphenyl)piperazin-1-ylsulfonyl]thiophene-2-carboxylic acid

Formula: C17H20N2O4S2

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

IUPAC: 3-{[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl}thiophene-2-carboxylic acid

InChI: InChI=1S/C17H20N2O4S2/c1-12-3-4-13(2)14(11-12)18-6-8-19(9-7-18)25(22,23)15-5-10-24-16(15)17(20)21/h3-5,10-11H,6-9H2,1-2H3,(H,20,21)

Composition: C (53.67%), H (5.30%), N (7.36%), O (16.82%), S (16.85%)

Molar Mass: 380.48

Atom Count: 45

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	380.08644948
Formal Charge	0
FSP3	0.35
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	KTLWZIMESZXDJR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	98.79
Topological Polar Surface Area	77.92
Polarizability	37.61
Ring Count	3
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C17H20N2O4S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00