N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide

C19H26FN3O2S2 — CID 5310550

IUPACN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide
SMILESCCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FN3O2S2/c1-3-22-10-12-23(13-11-22)19(18-5-4-14-26-18)15(2)21-27(24,25)17-8-6-16(20)7-9-17/h4-9,14-15,19,21H,3,10-13H2,1-2H3
InChIKeyHVWZGNWVOSXDQT-UHFFFAOYSA-N
MW411.57 g/mol
LogP2.93
Rot. Bonds7

About N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide

N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide (PubChem CID 5310550) has the molecular formula C19H26FN3O2S2 and a molecular weight of 411.57 g/mol. Its IUPAC name is N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide
PubChem CID5310550
Molecular FormulaC19H26FN3O2S2
Molecular Weight411.57 g/mol
Exact Mass411.15
IUPAC NameN-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide
SMILESCCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C19H26FN3O2S2/c1-3-22-10-12-23(13-11-22)19(18-5-4-14-26-18)15(2)21-27(24,25)17-8-6-16(20)7-9-17/h4-9,14-15,19,21H,3,10-13H2,1-2H3
InChIKeyHVWZGNWVOSXDQT-UHFFFAOYSA-N
XLogP2.93
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.57
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
4-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3238758
4-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3242269
4-bromo-N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 5310120
N-(1-(4-benzylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 5310439
N-(1-morpholino-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 6710473
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 6710502
1-[(4-Methylphenyl)sulfonyl]-4-(3-thienylmethyl)piperazine
CID 777589
[5-[4-[2-(4-Methylsulfonylpiperazin-1-yl)ethylsulfonyl]phenyl]sulfonylthiophen-2-yl]methanamine;dihydrochloride
CID 130345118
US10807974, Example 34
CID 130345119
N-Cyclopropyl-4-(2-ethyl-piperidine-1-sulfonyl)-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 645530
3-(Piperidine-1-sulfonyl)-N-thiophen-2-ylmethyl-benzenesulfonamide
CID 646351

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide (CID 5310550) is N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide is CCN1CCN(C(c2cccs2)C(C)NS(=O)(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide?
The InChIKey is HVWZGNWVOSXDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2S2/c1-3-22-10-12-23(13-11-22)19(18-5-4-14-26-18)15(2)21-27(24,25)17-8-6-16(20)7-9-17/h4-9,14-15,19,21H,3,10-13H2,1-2H3.
What are the key properties of N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide?
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide has a molecular weight of 411.57 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 5310550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).