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

C16H26BNO5S — CID 166594072

IUPACN-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
SMILESCC(C)Oc1ccc(NS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H26BNO5S/c1-11(2)21-14-9-8-12(18-24(7,19)20)10-13(14)17-22-15(3,4)16(5,6)23-17/h8-11,18H,1-7H3
InChIKeyAVNLZSNVHHQOIY-UHFFFAOYSA-N
MW355.27 g/mol
LogP2.14
Rot. Bonds5

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

N-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide (PubChem CID 166594072) has the molecular formula C16H26BNO5S and a molecular weight of 355.27 g/mol. Its IUPAC name is N-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
PubChem CID166594072
Molecular FormulaC16H26BNO5S
Molecular Weight355.27 g/mol
Exact Mass355.16
IUPAC NameN-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
SMILESCC(C)Oc1ccc(NS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1
InChIInChI=1S/C16H26BNO5S/c1-11(2)21-14-9-8-12(18-24(7,19)20)10-13(14)17-22-15(3,4)16(5,6)23-17/h8-11,18H,1-7H3
InChIKeyAVNLZSNVHHQOIY-UHFFFAOYSA-N
XLogP2.14
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
CID 66715578
N-(3-methyl-4-propan-2-yloxyphenyl)methanesulfonamide
CID 20737165
4,4,5,5-tetramethyl-2-(5-nitro-2-propan-2-yloxyphenyl)-1,3,2-dioxaborolane
CID 149146743
N-[4-phenylmethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propane-2-sulfonamide
CID 166594077
N-[3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propane-2-sulfonamide
CID 139592579
N-[4-phenylmethoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanesulfonamide
CID 166594078
N-ethyl-3-propan-2-yloxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 138986042
N-[6-pyridin-3-yloxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanesulfonamide
CID 155639882
2-(2,4-dichloro-5-propan-2-yloxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 69189528
N-(3-fluoro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 110777500
N-(3-chloro-4-propan-2-yloxyphenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 38943082
4,4,5,5-tetramethyl-2-[4-propan-2-yloxy-3-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane
CID 58494057

Frequently Asked Questions

What is the IUPAC name of N-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide (CID 166594072) is N-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide is CC(C)Oc1ccc(NS(C)(=O)=O)cc1B1OC(C)(C)C(C)(C)O1.
What is the InChIKey of N-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide?
The InChIKey is AVNLZSNVHHQOIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26BNO5S/c1-11(2)21-14-9-8-12(18-24(7,19)20)10-13(14)17-22-15(3,4)16(5,6)23-17/h8-11,18H,1-7H3.
What are the key properties of N-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide?
N-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide has a molecular weight of 355.27 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-propan-2-yloxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 166594072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).