N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide

C18H18ClFN4O3S — CID 2810583

IUPACN-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2c(F)cccc2Cl)CC1)c1cccc2nonc12
InChIInChI=1S/C18H18ClFN4O3S/c19-14-3-1-4-15(20)13(14)11-24-9-7-12(8-10-24)23-28(25,26)17-6-2-5-16-18(17)22-27-21-16/h1-6,12,23H,7-11H2
InChIKeyVUDSNAPJGFUKHK-UHFFFAOYSA-N
MW424.89 g/mol
LogP2.96
Rot. Bonds5

About N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide

N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 2810583) has the molecular formula C18H18ClFN4O3S and a molecular weight of 424.89 g/mol. Its IUPAC name is N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID2810583
Molecular FormulaC18H18ClFN4O3S
Molecular Weight424.89 g/mol
Exact Mass424.08
IUPAC NameN-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide
SMILESO=S(=O)(NC1CCN(Cc2c(F)cccc2Cl)CC1)c1cccc2nonc12
InChIInChI=1S/C18H18ClFN4O3S/c19-14-3-1-4-15(20)13(14)11-24-9-7-12(8-10-24)23-28(25,26)17-6-2-5-16-18(17)22-27-21-16/h1-6,12,23H,7-11H2
InChIKeyVUDSNAPJGFUKHK-UHFFFAOYSA-N
XLogP2.96
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide with MolForge

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Related Compounds

N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22206128
N-[4-(2-methylbutan-2-yl)cyclohexyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 17377916
N-[(3S)-1,1-dioxothiolan-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 7189339
N-(1-benzylpiperidin-4-yl)-2,1,3-benzothiadiazole-4-sulfonamide;hydrochloride
CID 46823308
N-[1-[2-(2-chloro-6-fluorophenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 86854125
1-[(2-chloro-6-fluorophenyl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119905861
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 22201711
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]methanol
CID 47035132
N-tert-butyl-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-4-carboxamide
CID 25249339
1-[(2-chloro-6-fluorophenyl)methyl]-N-cyclooctylpiperidine-4-carboxamide
CID 45015159
4-[4-[(3-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-2,1,3-benzoxadiazole
CID 17378915
4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]morpholine
CID 171691361

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide (CID 2810583) is N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide is O=S(=O)(NC1CCN(Cc2c(F)cccc2Cl)CC1)c1cccc2nonc12.
What is the InChIKey of N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is VUDSNAPJGFUKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFN4O3S/c19-14-3-1-4-15(20)13(14)11-24-9-7-12(8-10-24)23-28(25,26)17-6-2-5-16-18(17)22-27-21-16/h1-6,12,23H,7-11H2.
What are the key properties of N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide?
N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 424.89 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 2810583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).