1-(3,4-dimethoxybenzenesulfonyl)piperazine

1-(3,4-dimethoxybenzenesulfonyl)piperazine

CAS: 91908-88-2

Formula: C12H18N2O4S

SMILES: COC1=C(OC)C=C(C=C1)S(=O)(=O)N1CCNCC1

IUPAC: 1-(3,4-dimethoxybenzenesulfonyl)piperazine

InChI: InChI=1S/C12H18N2O4S/c1-17-11-4-3-10(9-12(11)18-2)19(15,16)14-7-5-13-6-8-14/h3-4,9,13H,5-8H2,1-2H3

Composition: C (50.33%), H (6.34%), N (9.78%), O (22.35%), S (11.20%)

Molar Mass: 286.35

Atom Count: 37

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	286.098728242
Formal Charge	0
FSP3	0.5
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	FFTNIOVRBBMUEN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	71.69
Topological Polar Surface Area	67.87
Polarizability	28.85
Ring Count	2
Rotatable Bond Count	3

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