4-amino-5-(ethanesulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxybenzamide

4-amino-5-(ethanesulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxybenzamide

CAS: 148516-54-5

Formula: C16H25N3O4S

SMILES: CCN1CCCC1CNC(=O)C1=CC(=C(N)C=C1O)S(=O)(=O)CC

IUPAC: 4-amino-5-(ethanesulfonyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-hydroxybenzamide

InChI: InChI=1/C16H25N3O4S/c1-3-19-7-5-6-11(19)10-18-16(21)12-8-15(24(22,23)4-2)13(17)9-14(12)20/h8-9,11,20H,3-7,10,17H2,1-2H3,(H,18,21)

Composition: C (54.07%), H (7.09%), N (11.82%), O (18.00%), S (9.02%)

Molar Mass: 355.45

Atom Count: 49

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	355.156577471
Formal Charge	0
FSP3	0.56
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	3
InChIKey	XBIBUXBARDPHCJ-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	95.36
Topological Polar Surface Area	112.73
Polarizability	36.46
Ring Count	2
Rotatable Bond Count	6

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97%	<14 Days	148516-54-5		$100.98-$805.80$100.98$416.16$805.80