4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide

C22H23FN2O2S2 — CID 42858562

IUPAC4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(c1ccccc1)C1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H23FN2O2S2/c23-18-8-10-22(11-9-18)29(26,27)25(19-5-2-1-3-6-19)20-12-14-24(15-13-20)17-21-7-4-16-28-21/h1-11,16,20H,12-15,17H2
InChIKeyTZXSVKFKKLUFLO-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.75
Rot. Bonds6

About 4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide

4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 42858562) has the molecular formula C22H23FN2O2S2 and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
PubChem CID42858562
Molecular FormulaC22H23FN2O2S2
Molecular Weight430.57 g/mol
Exact Mass430.12
IUPAC Name4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
SMILESO=S(=O)(c1ccc(F)cc1)N(c1ccccc1)C1CCN(Cc2cccs2)CC1
InChIInChI=1S/C22H23FN2O2S2/c23-18-8-10-22(11-9-18)29(26,27)25(19-5-2-1-3-6-19)20-12-14-24(15-13-20)17-21-7-4-16-28-21/h1-11,16,20H,12-15,17H2
InChIKeyTZXSVKFKKLUFLO-UHFFFAOYSA-N
XLogP4.75
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055339
N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide
CID 10184484
4-chloro-N-[1-[(2-chlorophenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46055143
N-[1-[(2,4-difluorophenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 46052093
4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide
CID 46055350
N-(4-fluorophenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]furan-2-carboxamide
CID 42858050
N-(4-fluorophenyl)-4-methyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 46055362
4-chloro-N-(4-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048430
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048408
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10300730
4-chloro-N-[1-[(3,5-dimethoxyphenyl)methyl]piperidin-4-yl]-N-(4-fluorophenyl)benzenesulfonamide
CID 46048435
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 4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide (CID 42858562) is 4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide is O=S(=O)(c1ccc(F)cc1)N(c1ccccc1)C1CCN(Cc2cccs2)CC1.
What is the InChIKey of 4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is TZXSVKFKKLUFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O2S2/c23-18-8-10-22(11-9-18)29(26,27)25(19-5-2-1-3-6-19)20-12-14-24(15-13-20)17-21-7-4-16-28-21/h1-11,16,20H,12-15,17H2.
What are the key properties of 4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 430.57 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-phenyl-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 42858562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).