4-methanesulfonyl-2-(4-methylpiperazin-1-yl)benzaldehyde

4-methanesulfonyl-2-(4-methylpiperazin-1-yl)benzaldehyde

CAS: 1197193-37-5

Formula: C13H18N2O3S

SMILES: CN1CCN(CC1)C1=CC(=CC=C1C=O)S(C)(=O)=O

IUPAC: 4-methanesulfonyl-2-(4-methylpiperazin-1-yl)benzaldehyde

InChI: InChI=1S/C13H18N2O3S/c1-14-5-7-15(8-6-14)13-9-12(19(2,17)18)4-3-11(13)10-16/h3-4,9-10H,5-8H2,1-2H3

Composition: C (55.30%), H (6.43%), N (9.92%), O (17.00%), S (11.35%)

Molar Mass: 282.36

Atom Count: 37

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	282.103813622
Formal Charge	0
FSP3	0.46
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	FDYJNLLUGIQENA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	77.12
Topological Polar Surface Area	57.69
Polarizability	29.37
Ring Count	2
Rotatable Bond Count	3

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