2-(4-acetamidobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid

2-(4-acetamidobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid

Formula: C13H18N2O5S2

SMILES: CSCCC(NS(=O)(=O)C1=CC=C(NC(C)=O)C=C1)C(O)=O

IUPAC: 2-(4-acetamidobenzenesulfonamido)-4-(methylsulfanyl)butanoic acid

InChI: InChI=1/C13H18N2O5S2/c1-9(16)14-10-3-5-11(6-4-10)22(19,20)15-12(13(17)18)7-8-21-2/h3-6,12,15H,7-8H2,1-2H3,(H,14,16)(H,17,18)

Composition: C (45.07%), H (5.24%), N (8.09%), O (23.09%), S (18.51%)

Molar Mass: 346.42

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	346.065714036
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	3
InChIKey	RJJGSJXGOJEVFB-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.64
Topological Polar Surface Area	112.57
Polarizability	33.38
Ring Count	1
Rotatable Bond Count	7

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H18N2O5S2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00