4-methyl-3-(piperidine-1-sulfonyl)benzoic acid

4-methyl-3-(piperidine-1-sulfonyl)benzoic acid

Formula: C13H17NO4S

SMILES: CC1=C(C=C(C=C1)C(O)=O)S(=O)(=O)N1CCCCC1

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

InChI: InChI=1S/C13H17NO4S/c1-10-5-6-11(13(15)16)9-12(10)19(17,18)14-7-3-2-4-8-14/h5-6,9H,2-4,7-8H2,1H3,(H,15,16)

Composition: C (55.11%), H (6.05%), N (4.94%), O (22.59%), S (11.31%)

Molar Mass: 283.34

Atom Count: 36

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	283.087829205
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CYDFTQZJAGEURD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.45
Topological Polar Surface Area	74.68
Polarizability	28.23
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C13H17NO4S		Quote Only