N-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

C18H24BNO5S — CID 75486806

IUPACN-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
SMILESCc1cc(B2OC(C)(C)C(C)(C)O2)cc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C18H24BNO5S/c1-13-9-14(19-24-17(2,3)18(4,5)25-19)11-16(10-13)26(21,22)20-12-15-7-6-8-23-15/h6-11,20H,12H2,1-5H3
InChIKeyPBVHSMBFEOUFMM-UHFFFAOYSA-N
MW377.27 g/mol
LogP2.37
Rot. Bonds5

About N-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

N-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide (PubChem CID 75486806) has the molecular formula C18H24BNO5S and a molecular weight of 377.27 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
PubChem CID75486806
Molecular FormulaC18H24BNO5S
Molecular Weight377.27 g/mol
Exact Mass377.15
IUPAC NameN-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
SMILESCc1cc(B2OC(C)(C)C(C)(C)O2)cc(S(=O)(=O)NCc2ccco2)c1
InChIInChI=1S/C18H24BNO5S/c1-13-9-14(19-24-17(2,3)18(4,5)25-19)11-16(10-13)26(21,22)20-12-15-7-6-8-23-15/h6-11,20H,12H2,1-5H3
InChIKeyPBVHSMBFEOUFMM-UHFFFAOYSA-N
XLogP2.37
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 32672518
1-(3,5-dimethylphenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 25039568
3,4-dichloro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 738690
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313
N-[2-(furan-2-ylmethylsulfamoyl)ethyl]-4-methylbenzenesulfonamide
CID 110345911
N-(furan-2-ylmethyl)-4-(1-hydroxyethyl)benzenesulfonamide
CID 17490399
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 53054353
N-(furan-2-ylmethyl)-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 75486487
3-(furan-2-ylmethylsulfamoyl)benzoic acid
CID 972732
5-chloro-N-(furan-2-ylmethyl)-2-methylbenzenesulfonamide
CID 839333
3-chloro-N-(furan-2-ylmethyl)-4-(methylaminomethyl)benzenesulfonamide
CID 107091317
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
CID 4968582

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide (CID 75486806) is N-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide is Cc1cc(B2OC(C)(C)C(C)(C)O2)cc(S(=O)(=O)NCc2ccco2)c1.
What is the InChIKey of N-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?
The InChIKey is PBVHSMBFEOUFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24BNO5S/c1-13-9-14(19-24-17(2,3)18(4,5)25-19)11-16(10-13)26(21,22)20-12-15-7-6-8-23-15/h6-11,20H,12H2,1-5H3.
What are the key properties of N-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?
N-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide has a molecular weight of 377.27 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide is sourced from PubChem (CID 75486806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).