N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide

C19H22F2N2O2S — CID 16887771

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C19H22F2N2O2S/c20-17-6-7-18(21)19(12-17)26(24,25)22-13-15-8-10-23(11-9-15)14-16-4-2-1-3-5-16/h1-7,12,15,22H,8-11,13-14H2
InChIKeyKWNWJICIYFUNAM-UHFFFAOYSA-N
MW380.46 g/mol
LogP3.16
Rot. Bonds6

About N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide

N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide (PubChem CID 16887771) has the molecular formula C19H22F2N2O2S and a molecular weight of 380.46 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide
PubChem CID16887771
Molecular FormulaC19H22F2N2O2S
Molecular Weight380.46 g/mol
Exact Mass380.14
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide
SMILESO=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C19H22F2N2O2S/c20-17-6-7-18(21)19(12-17)26(24,25)22-13-15-8-10-23(11-9-15)14-16-4-2-1-3-5-16/h1-7,12,15,22H,8-11,13-14H2
InChIKeyKWNWJICIYFUNAM-UHFFFAOYSA-N
XLogP3.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.46
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-benzylpiperidin-4-yl)methyl]-3-fluorobenzenesulfonamide
CID 16887794
N-[2-(1-benzylpiperidin-4-yl)ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 74227028
N-[(1-benzylpiperidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 16887788
3-fluoro-N-[[1-(2-phenylethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887867
N-[(3-chlorocyclohexyl)methyl]-2,5-difluorobenzenesulfonamide
CID 106135987
N-[(1-benzylpiperidin-4-yl)methyl]-5-methylthiophene-2-sulfonamide
CID 16887802
2-chloro-N-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16887922
2-nitro-N-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]benzenesulfonamide
CID 16888004
1-benzyl-4-(2,4-difluorophenyl)sulfonylpiperazine
CID 19682650
N-[(1-benzylpiperidin-4-yl)methyl]-4-propoxybenzenesulfonamide
CID 16887822
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
1-(2,5-difluorophenyl)sulfonyl-N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]piperidine-4-carboxamide
CID 55960697

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide (CID 16887771) is N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide is O=S(=O)(NCC1CCN(Cc2ccccc2)CC1)c1cc(F)ccc1F.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is KWNWJICIYFUNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F2N2O2S/c20-17-6-7-18(21)19(12-17)26(24,25)22-13-15-8-10-23(11-9-15)14-16-4-2-1-3-5-16/h1-7,12,15,22H,8-11,13-14H2.
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide?
N-[(1-benzylpiperidin-4-yl)methyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 380.46 g/mol, XLogP of 3.16, 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]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 16887771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).