2,4-difluoro-N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)benzenesulfonamide

HCID 59564705
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Basic information

CAS
1083326-73-1
Standard SMILES
COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIKey
CTHJPTSKLMLUCQ-UHFFFAOYSA-N
Molecular formula
C18H21BF2N2O5S
Average molar mass
426.2 g/mol
Monoisotopic mass
426.12322961

Names & identifiers

Preferred name
2,4-difluoro-N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)benzenesulfonamide
IUPAC
2,4-difluoro-N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide
English name
2,4-difluoro-N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)benzenesulfonamide
Molecular formula
C18H21BF2N2O5S
Molecular weight
426.24

Names & synonyms

1083326-73-12,4-difluoro-N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl)benzenesulfonamideMFCD12923393C18H21BF2N2O5S2,4-difluoro-N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-yl]benzenesulfonamide3-(2,4-Difluorophenylsulfonylamino)-2-methoxypyridine-5-boronic acid pinacol ester2,4-Difluoro-N-[2-(methyloxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamideSCHEMBL110313SCHEMBL29434933SCHEMBL29556110DTXSID10732406CTHJPTSKLMLUCQ-UHFFFAOYSA-N
Show more names
Benzenesulfonamide, 2,4-difluoro-N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-
CS-M0092AKOS0168454212,4-difluoro-N-(2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-yl)benzenesulfonamideCS-14172SY385209C12145F7884805-(2,4-Difluorophenylsulfonamido)-6-methoxypyridine-3-boronic Acid Pinacol Ester

Database identifiers

CAS
1083326-73-1
PubChem CID
59564705
DTXSID
DTXSID10732406

Properties

Computed structural properties

Topological polar surface area
95.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
9
Rotatable bonds
5
Heavy atoms
29

Physicochemical properties

Boiling point
521 · 521.0±60.0 °C(Predicted)
Density
1.35 · 1.35
storage temp.
Sealed in dry,Room Temperature
pka
6.81 · 6.81±0.40(Predicted)
Appearance
White to off-white Solid
Symbol(GHS)
7 · GHS07

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers31 total

毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
石家庄衍晟生物科技有限公司18332018567; 18332018567 · [email protected]
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [email protected]
上海遐瑞医药科技有限公司+86 21 61551611

Related reactions

31 records
New reaction record

Compound notes

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