methyl (2S)-2-(4-methylbenzenesulfonamido)propanoate

methyl (2S)-2-(4-methylbenzenesulfonamido)propanoate

CAS: 59724-69-5

Formula: C11H15NO4S

SMILES: COC(=O)[C@H](C)NS(=O)(=O)C1=CC=C(C)C=C1

IUPAC: methyl (2S)-2-(4-methylbenzenesulfonamido)propanoate

InChI: InChI=1S/C11H15NO4S/c1-8-4-6-10(7-5-8)17(14,15)12-9(2)11(13)16-3/h4-7,9,12H,1-3H3/t9-/m0/s1

Composition: C (51.35%), H (5.88%), N (5.44%), O (24.87%), S (12.46%)

Molar Mass: 257.3

Atom Count: 32

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	257.072179141
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ZACCMBDKBQLRAM-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.5
Topological Polar Surface Area	72.47
Polarizability	25.55
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	59724-69-5		$50.44-$89.53$50.44$89.53