2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide

C15H25BN2O5S — CID 67981970

IUPAC2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
SMILESCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C15H25BN2O5S/c1-10(2)18-24(19,20)12-8-11(9-17-13(12)21-7)16-22-14(3,4)15(5,6)23-16/h8-10,18H,1-7H3
InChIKeyYZYFYIKWHPIOGH-UHFFFAOYSA-N
MW356.25 g/mol
LogP1.08
Rot. Bonds5

About 2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide

2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide (PubChem CID 67981970) has the molecular formula C15H25BN2O5S and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
PubChem CID67981970
Molecular FormulaC15H25BN2O5S
Molecular Weight356.25 g/mol
Exact Mass356.16
IUPAC Name2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
SMILESCOc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(C)C
InChIInChI=1S/C15H25BN2O5S/c1-10(2)18-24(19,20)12-8-11(9-17-13(12)21-7)16-22-14(3,4)15(5,6)23-16/h8-10,18H,1-7H3
InChIKeyYZYFYIKWHPIOGH-UHFFFAOYSA-N
XLogP1.08
TPSA86.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-N-(2,2,2-trifluoroethyl)pyridine-3-sulfonamide
CID 67982093
N-(3,5-difluorophenyl)-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
CID 67982664
N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]ethanesulfonamide
CID 89499592
2-methoxy-3-(methylsulfonylmethyl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 58255769
2-amino-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
CID 66781540
2-methoxy-3-(2-methoxyethoxy)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 154897683
2,4-difluoro-N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-N-methylbenzenesulfonamide
CID 66800917
tert-butyl N-[[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methyl]carbamate
CID 130115059
N-tert-butyl-2-(dimethylamino)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide
CID 71116272
5-bromo-N-(2,4-dimethylpentan-3-yl)-2-methoxypyridine-3-sulfonamide
CID 71131413
2,4-difluorobenzenesulfonyl chloride;2,4-difluoro-N-[2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]benzenesulfonamide;2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-3-amine
CID 159869027
N-[2-ethoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]-4-hydroxybenzenesulfonamide
CID 90102129

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide (CID 67981970) is 2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide is COc1ncc(B2OC(C)(C)C(C)(C)O2)cc1S(=O)(=O)NC(C)C.
What is the InChIKey of 2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide?
The InChIKey is YZYFYIKWHPIOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BN2O5S/c1-10(2)18-24(19,20)12-8-11(9-17-13(12)21-7)16-22-14(3,4)15(5,6)23-16/h8-10,18H,1-7H3.
What are the key properties of 2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide?
2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide has a molecular weight of 356.25 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-propan-2-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 67981970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).