4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide

C23H24F2N2O2S2 — CID 46055339

IUPAC4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(N(C2CCN(Cc3cccs3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1F
InChIInChI=1S/C23H24F2N2O2S2/c1-17-4-7-20(15-23(17)25)27(31(28,29)22-8-5-18(24)6-9-22)19-10-12-26(13-11-19)16-21-3-2-14-30-21/h2-9,14-15,19H,10-13,16H2,1H3
InChIKeyNSNRWNZDEFMVBV-UHFFFAOYSA-N
MW462.59 g/mol
LogP5.19
Rot. Bonds6

About 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide

4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide (PubChem CID 46055339) has the molecular formula C23H24F2N2O2S2 and a molecular weight of 462.59 g/mol. Its IUPAC name is 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
PubChem CID46055339
Molecular FormulaC23H24F2N2O2S2
Molecular Weight462.59 g/mol
Exact Mass462.12
IUPAC Name4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide
SMILESCc1ccc(N(C2CCN(Cc3cccs3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1F
InChIInChI=1S/C23H24F2N2O2S2/c1-17-4-7-20(15-23(17)25)27(31(28,29)22-8-5-18(24)6-9-22)19-10-12-26(13-11-19)16-21-3-2-14-30-21/h2-9,14-15,19H,10-13,16H2,1H3
InChIKeyNSNRWNZDEFMVBV-UHFFFAOYSA-N
XLogP5.19
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide (CID 46055339) is 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide is Cc1ccc(N(C2CCN(Cc3cccs3)CC2)S(=O)(=O)c2ccc(F)cc2)cc1F.
What is the InChIKey of 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide?
The InChIKey is NSNRWNZDEFMVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N2O2S2/c1-17-4-7-20(15-23(17)25)27(31(28,29)22-8-5-18(24)6-9-22)19-10-12-26(13-11-19)16-21-3-2-14-30-21/h2-9,14-15,19H,10-13,16H2,1H3.
What are the key properties of 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide?
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide has a molecular weight of 462.59 g/mol, XLogP of 5.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-(thiophen-2-ylmethyl)piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 46055339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).