4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

C23H25F2N3O2S2 — CID 16806603

IUPAC4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25F2N3O2S2/c1-17(26-32(29,30)21-10-6-19(25)7-11-21)23(22-3-2-16-31-22)28-14-12-27(13-15-28)20-8-4-18(24)5-9-20/h2-11,16-17,23,26H,12-15H2,1H3
InChIKeyRXFCMQJTXFBQNH-UHFFFAOYSA-N
MW477.60 g/mol
LogP4.26
Rot. Bonds7

About 4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (PubChem CID 16806603) has the molecular formula C23H25F2N3O2S2 and a molecular weight of 477.60 g/mol. Its IUPAC name is 4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
PubChem CID16806603
Molecular FormulaC23H25F2N3O2S2
Molecular Weight477.60 g/mol
Exact Mass477.14
IUPAC Name4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25F2N3O2S2/c1-17(26-32(29,30)21-10-6-19(25)7-11-21)23(22-3-2-16-31-22)28-14-12-27(13-15-28)20-8-4-18(24)5-9-20/h2-11,16-17,23,26H,12-15H2,1H3
InChIKeyRXFCMQJTXFBQNH-UHFFFAOYSA-N
XLogP4.26
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.60
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (CID 16806603) is 4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)cc1)C(c1cccs1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of 4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is RXFCMQJTXFBQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N3O2S2/c1-17(26-32(29,30)21-10-6-19(25)7-11-21)23(22-3-2-16-31-22)28-14-12-27(13-15-28)20-8-4-18(24)5-9-20/h2-11,16-17,23,26H,12-15H2,1H3.
What are the key properties of 4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 477.60 g/mol, XLogP of 4.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 16806603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).