N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide

C18H20N4O3S — CID 134447092

IUPACN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc2nonc2c1)C1CCNCC1
InChIInChI=1S/C18H20N4O3S/c23-26(24,16-4-2-1-3-5-16)22(15-8-10-19-11-9-15)13-14-6-7-17-18(12-14)21-25-20-17/h1-7,12,15,19H,8-11,13H2
InChIKeyCMLJYIZXQFIHTF-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.17
Rot. Bonds5

About N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide

N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide (PubChem CID 134447092) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide
PubChem CID134447092
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide
SMILESO=S(=O)(c1ccccc1)N(Cc1ccc2nonc2c1)C1CCNCC1
InChIInChI=1S/C18H20N4O3S/c23-26(24,16-4-2-1-3-5-16)22(15-8-10-19-11-9-15)13-14-6-7-17-18(12-14)21-25-20-17/h1-7,12,15,19H,8-11,13H2
InChIKeyCMLJYIZXQFIHTF-UHFFFAOYSA-N
XLogP2.17
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-N-(piperidin-4-ylmethyl)benzenesulfonamide
CID 79717324
N-benzyl-N-cyclopropyl-3-(piperazin-1-ylmethyl)benzenesulfonamide
CID 59826080
1-N-benzyl-4-N-[(4-chlorophenyl)methyl]-4-N-cyclopentyl-1-N-(2-piperidin-4-ylethyl)benzene-1,4-disulfonamide
CID 155274293
N-[3-(2,1,3-benzoxadiazol-5-yl)propyl]-4-[3-[4-[[boranylidynemethyl(methyl)amino]methyl]phenyl]-2-oxo-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-N-piperidin-4-ylbenzenesulfonamide
CID 70645904
3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 31820934
N-cyclohexyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzenesulfonamide
CID 2243647
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
N-(azepan-4-yl)-4-nitro-N-(pyrimidin-5-ylmethyl)benzenesulfonamide
CID 165493942
N-ethyl-3,5-dimethyl-N-piperidin-4-ylbenzenesulfonamide
CID 60805252
N-cyclopropyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 90496094
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
4-ethyl-N-piperidin-4-yl-N-[3-(1,2,4-triazol-4-yl)propyl]benzenesulfonamide
CID 70653674

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide (CID 134447092) is N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide is O=S(=O)(c1ccccc1)N(Cc1ccc2nonc2c1)C1CCNCC1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide?
The InChIKey is CMLJYIZXQFIHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c23-26(24,16-4-2-1-3-5-16)22(15-8-10-19-11-9-15)13-14-6-7-17-18(12-14)21-25-20-17/h1-7,12,15,19H,8-11,13H2.
What are the key properties of N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide?
N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide has a molecular weight of 372.45 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-5-ylmethyl)-N-piperidin-4-ylbenzenesulfonamide is sourced from PubChem (CID 134447092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).