2-ethoxy-5-(4-ethylpiperazin-1-ylsulfonyl)benzoic acid

2-ethoxy-5-(4-ethylpiperazin-1-ylsulfonyl)benzoic acid

CAS: 1245644-35-2

Formula: C15H22N2O5S

SMILES: CCOC1=CC=C(C=C1C(O)=O)S(=O)(=O)N1CCN(CC)CC1

IUPAC: 2-ethoxy-5-[(4-ethylpiperazin-1-yl)sulfonyl]benzoic acid

InChI: InChI=1S/C15H22N2O5S/c1-3-16-7-9-17(10-8-16)23(20,21)12-5-6-14(22-4-2)13(11-12)15(18)19/h5-6,11H,3-4,7-10H2,1-2H3,(H,18,19)

Composition: C (52.62%), H (6.48%), N (8.18%), O (23.36%), S (9.36%)

Molar Mass: 342.41

Atom Count: 45

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	342.12494299
Formal Charge	0
FSP3	0.53
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	1
InChIKey	UEQCATIDIDTXNZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.28
Topological Polar Surface Area	87.15
Polarizability	34.21
Ring Count	2
Rotatable Bond Count	5

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