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4-(piperidin-1-yl)-3-(piperidine-1-sulfonyl)benzoic acid

4-(piperidin-1-yl)-3-(piperidine-1-sulfonyl)benzoic acid

Formula: C17H24N2O4S

SMILES: OC(=O)C1=CC(=C(C=C1)N1CCCCC1)S(=O)(=O)N1CCCCC1

IUPAC: 4-(piperidin-1-yl)-3-(piperidine-1-sulfonyl)benzoic acid

InChI: InChI=1S/C17H24N2O4S/c20-17(21)14-7-8-15(18-9-3-1-4-10-18)16(13-14)24(22,23)19-11-5-2-6-12-19/h7-8,13H,1-6,9-12H2,(H,20,21)

Composition: C (57.93%), H (6.86%), N (7.95%), O (18.16%), S (9.10%)

Molar Mass: 352.45

Atom Count: 48

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 352.145678435
Formal Charge 0
FSP3 0.59
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 1
InChIKey FGFILSIODSULAP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 93.98
Topological Polar Surface Area 77.92
Polarizability 36.07
Ring Count 3
Rotatable Bond Count 3

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Purity (%)
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Molecule Market Select
Purity LeadTime Formula UnitPrice
98% <10 Days C17H24N2O4S Quote Only