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N-(4-bromobenzenesulfonyl)-3-methylbutanamide

N-(4-bromobenzenesulfonyl)-3-methylbutanamide

Formula: C11H14BrNO3S

SMILES: CC(C)CC(=O)NS(=O)(=O)C1=CC=C(Br)C=C1

IUPAC: N-(4-bromobenzenesulfonyl)-3-methylbutanamide

InChI: InChI=1S/C11H14BrNO3S/c1-8(2)7-11(14)13-17(15,16)10-5-3-9(12)4-6-10/h3-6,8H,7H2,1-2H3,(H,13,14)

Composition: C (41.26%), H (4.41%), Br (24.95%), N (4.37%), O (14.99%), S (10.01%)

Molar Mass: 320.2

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 318.987777
Formal Charge 0
FSP3 0.36
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey YHMHTNHUCODKGY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.18
Topological Polar Surface Area 63.24
Polarizability 27.78
Ring Count 1
Rotatable Bond Count 3

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Purity LeadTime Formula UnitPrice
98% <10 Days C11H14BrNO3S Quote Only