N-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide

C20H25FN2O2S — CID 16887805

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25FN2O2S/c1-16-13-19(21)7-8-20(16)26(24,25)22-14-17-9-11-23(12-10-17)15-18-5-3-2-4-6-18/h2-8,13,17,22H,9-12,14-15H2,1H3
InChIKeyPQLDSCFWWLUKFX-UHFFFAOYSA-N
MW376.50 g/mol
LogP3.32
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide

N-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide (PubChem CID 16887805) has the molecular formula C20H25FN2O2S and a molecular weight of 376.50 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
PubChem CID16887805
Molecular FormulaC20H25FN2O2S
Molecular Weight376.50 g/mol
Exact Mass376.16
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(F)ccc1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C20H25FN2O2S/c1-16-13-19(21)7-8-20(16)26(24,25)22-14-17-9-11-23(12-10-17)15-18-5-3-2-4-6-18/h2-8,13,17,22H,9-12,14-15H2,1H3
InChIKeyPQLDSCFWWLUKFX-UHFFFAOYSA-N
XLogP3.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.50
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide (CID 16887805) is N-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide is Cc1cc(F)ccc1S(=O)(=O)NCC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide?
The InChIKey is PQLDSCFWWLUKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2S/c1-16-13-19(21)7-8-20(16)26(24,25)22-14-17-9-11-23(12-10-17)15-18-5-3-2-4-6-18/h2-8,13,17,22H,9-12,14-15H2,1H3.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide?
N-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide has a molecular weight of 376.50 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-4-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 16887805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).