4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

C23H26FN3O2S2 — CID 30889057

IUPAC4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H26FN3O2S2/c1-18(25-31(28,29)21-11-9-19(24)10-12-21)23(22-8-5-17-30-22)27-15-13-26(14-16-27)20-6-3-2-4-7-20/h2-12,17-18,23,25H,13-16H2,1H3/t18-,23+/m1/s1
InChIKeyROZSWNCULBCUND-JPYJTQIMSA-N
MW459.61 g/mol
LogP4.12
Rot. Bonds7

About 4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (PubChem CID 30889057) has the molecular formula C23H26FN3O2S2 and a molecular weight of 459.61 g/mol. Its IUPAC name is 4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
PubChem CID30889057
Molecular FormulaC23H26FN3O2S2
Molecular Weight459.61 g/mol
Exact Mass459.15
IUPAC Name4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C23H26FN3O2S2/c1-18(25-31(28,29)21-11-9-19(24)10-12-21)23(22-8-5-17-30-22)27-15-13-26(14-16-27)20-6-3-2-4-7-20/h2-12,17-18,23,25H,13-16H2,1H3/t18-,23+/m1/s1
InChIKeyROZSWNCULBCUND-JPYJTQIMSA-N
XLogP4.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.61
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-nitro-N-[(1R,2S)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 30889062
4-fluoro-N-[(1S,2R)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110860
4-fluoro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 30889143
N-[(1R,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110846
N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7110842
N-[1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 5310496
4-chloro-N-[(1S,2R)-1-[4-(4-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 41044087
N-[(1R,2S)-1-[4-(2-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-4-nitrobenzenesulfonamide
CID 30889080
4-chloro-N-[(1S,2S)-1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 7099199
4-chloro-N-[(1R,2R)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 30889136
N-[(1R,2R)-1-[4-(4-fluorophenyl)piperazin-1-yl]-1-thiophen-2-ylpropan-2-yl]-2-methylpropanamide
CID 7086561
4-bromo-N-[(1S,2S)-1-morpholin-4-yl-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 30889010

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (CID 30889057) is 4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(F)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is ROZSWNCULBCUND-JPYJTQIMSA-N. The full InChI is InChI=1S/C23H26FN3O2S2/c1-18(25-31(28,29)21-11-9-19(24)10-12-21)23(22-8-5-17-30-22)27-15-13-26(14-16-27)20-6-3-2-4-7-20/h2-12,17-18,23,25H,13-16H2,1H3/t18-,23+/m1/s1.
What are the key properties of 4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 459.61 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[(1S,2R)-1-(4-phenylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 30889057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).