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4-(N-methyl-4-fluorobenzenesulfonamido)butanoic acid

4-(N-methyl-4-fluorobenzenesulfonamido)butanoic acid

Formula: C11H14FNO4S

SMILES: CN(CCCC(O)=O)S(=O)(=O)C1=CC=C(F)C=C1

IUPAC: 4-(N-methyl-4-fluorobenzenesulfonamido)butanoic acid

InChI: InChI=1S/C11H14FNO4S/c1-13(8-2-3-11(14)15)18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8H2,1H3,(H,14,15)

Composition: C (47.99%), H (5.13%), F (6.90%), N (5.09%), O (23.25%), S (11.65%)

Molar Mass: 275.29

Atom Count: 32

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 275.062757272
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey HUXSPZKUXFYJSS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.76
Topological Polar Surface Area 74.68
Polarizability 25.15
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime Formula UnitPrice
98% <10 Days C11H14FNO4S Quote Only