N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

C17H27BN2O4S — CID 131870721

IUPACN-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
SMILESCC1(C)OB(c2ccc(S(=O)(=O)NC3CCNCC3)cc2)OC1(C)C
InChIInChI=1S/C17H27BN2O4S/c1-16(2)17(3,4)24-18(23-16)13-5-7-15(8-6-13)25(21,22)20-14-9-11-19-12-10-14/h5-8,14,19-20H,9-12H2,1-4H3
InChIKeyZMHWIDNYIYUVPV-UHFFFAOYSA-N
MW366.29 g/mol
LogP1.02
Rot. Bonds4

About N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide

N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide (PubChem CID 131870721) has the molecular formula C17H27BN2O4S and a molecular weight of 366.29 g/mol. Its IUPAC name is N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
PubChem CID131870721
Molecular FormulaC17H27BN2O4S
Molecular Weight366.29 g/mol
Exact Mass366.18
IUPAC NameN-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
SMILESCC1(C)OB(c2ccc(S(=O)(=O)NC3CCNCC3)cc2)OC1(C)C
InChIInChI=1S/C17H27BN2O4S/c1-16(2)17(3,4)24-18(23-16)13-5-7-15(8-6-13)25(21,22)20-14-9-11-19-12-10-14/h5-8,14,19-20H,9-12H2,1-4H3
InChIKeyZMHWIDNYIYUVPV-UHFFFAOYSA-N
XLogP1.02
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(oxan-4-yl)-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 69267301
N-[(3R)-1,1-dioxothiolan-3-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 68632376
N-[(3S)-1,1-dihydroxythiolan-3-yl]-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide
CID 68634509
1-N-methyl-4-N-piperidin-4-ylbenzene-1,4-disulfonamide;hydrochloride
CID 120998885
4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]piperidine;hydrochloride
CID 86717372
4-cyclohexyl-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960370
N-piperidin-4-yl-4-propylbenzenesulfonamide
CID 43603347
4-butan-2-yl-N-piperidin-4-ylbenzenesulfonamide
CID 43603241
4-(dimethylsulfamoylamino)-N-piperidin-4-ylbenzenesulfonamide
CID 122571957
4-[(dimethylamino)methyl]-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120874458
N-cyclopentyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 165368859
cyclopropylimino-methyl-oxo-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-λ6-sulfane
CID 175297797

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?
The IUPAC name of N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide (CID 131870721) is N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide.
What is the SMILES notation for N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?
The canonical SMILES for N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide is CC1(C)OB(c2ccc(S(=O)(=O)NC3CCNCC3)cc2)OC1(C)C.
What is the InChIKey of N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?
The InChIKey is ZMHWIDNYIYUVPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BN2O4S/c1-16(2)17(3,4)24-18(23-16)13-5-7-15(8-6-13)25(21,22)20-14-9-11-19-12-10-14/h5-8,14,19-20H,9-12H2,1-4H3.
What are the key properties of N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide?
N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide has a molecular weight of 366.29 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonamide is sourced from PubChem (CID 131870721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).