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2-bromo-N,N-diethyl-4-(trifluoromethoxy)benzenesulfonamide

2-bromo-N,N-diethyl-4-(trifluoromethoxy)benzenesulfonamide

CAS: 957062-75-8

Formula: C11H13BrF3NO3S

SMILES: CCN(CC)S(=O)(=O)C1=C(Br)C=C(OC(F)(F)F)C=C1

IUPAC: 2-bromo-N,N-diethyl-4-(trifluoromethoxy)benzene-1-sulfonamide

InChI: InChI=1S/C11H13BrF3NO3S/c1-3-16(4-2)20(17,18)10-6-5-8(7-9(10)12)19-11(13,14)15/h5-7H,3-4H2,1-2H3

Composition: C (35.12%), H (3.48%), Br (21.24%), F (15.15%), N (3.72%), O (12.76%), S (8.52%)

Molar Mass: 376.19

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 374.975162
Formal Charge 0
FSP3 0.45
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey TZYAQTDLDGIJMK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.2
Topological Polar Surface Area 46.61
Polarizability 28.06
Ring Count 1
Rotatable Bond Count 5

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