N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide

C24H22F4N2O2S — CID 46052093

IUPACN-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C24H22F4N2O2S/c25-18-3-7-21(8-4-18)30(33(31,32)23-9-5-19(26)6-10-23)22-11-13-29(14-12-22)16-17-1-2-20(27)15-24(17)28/h1-10,15,22H,11-14,16H2
InChIKeySCFJJCBFVAIGHK-UHFFFAOYSA-N
MW478.51 g/mol
LogP5.10
Rot. Bonds6

About N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide

N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide (PubChem CID 46052093) has the molecular formula C24H22F4N2O2S and a molecular weight of 478.51 g/mol. Its IUPAC name is N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
PubChem CID46052093
Molecular FormulaC24H22F4N2O2S
Molecular Weight478.51 g/mol
Exact Mass478.13
IUPAC NameN-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2F)CC1
InChIInChI=1S/C24H22F4N2O2S/c25-18-3-7-21(8-4-18)30(33(31,32)23-9-5-19(26)6-10-23)22-11-13-29(14-12-22)16-17-1-2-20(27)15-24(17)28/h1-10,15,22H,11-14,16H2
InChIKeySCFJJCBFVAIGHK-UHFFFAOYSA-N
XLogP5.10
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.51
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46052106
4-chloro-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46055143
4-chloro-N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46048435
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048408
4-chloro-N-(4-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048430
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 46055255
4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 42858562
N-(4-fluorophenyl)-3-methyl-N-[1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]benzenesulfonamide
CID 46055379
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055339
4-chloro-1-[(2,4-difluorophenyl)methyl]piperidine
CID 63389167
N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055362
N-[1-[(4-fluorophenyl)methyl]piperidin-4-yl]-3-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 42853466

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The IUPAC name of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide (CID 46052093) is N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The canonical SMILES for N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CCN(Cc2ccc(F)cc2F)CC1.
What is the InChIKey of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
The InChIKey is SCFJJCBFVAIGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F4N2O2S/c25-18-3-7-21(8-4-18)30(33(31,32)23-9-5-19(26)6-10-23)22-11-13-29(14-12-22)16-17-1-2-20(27)15-24(17)28/h1-10,15,22H,11-14,16H2.
What are the key properties of N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide?
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide has a molecular weight of 478.51 g/mol, XLogP of 5.10, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide is sourced from PubChem (CID 46052093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).