N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide

N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide

CAS: 305448-92-4

Formula: C13H20BNO4S

SMILES: CC1(C)OB(OC1(C)C)C1=CC(NS(C)(=O)=O)=CC=C1

IUPAC: N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide

InChI: InChI=1S/C13H20BNO4S/c1-12(2)13(3,4)19-14(18-12)10-7-6-8-11(9-10)15-20(5,16)17/h6-9,15H,1-5H3

Composition: C (52.54%), H (6.78%), B (3.64%), N (4.71%), O (21.53%), S (10.79%)

Molar Mass: 297.18

Atom Count: 40

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	297.120609
Formal Charge	0
FSP3	0.54
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LBTPCAAJDFFVTA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	72.4
Topological Polar Surface Area	64.63
Polarizability	31.16
Ring Count	2
Rotatable Bond Count	2

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