4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

C22H24FN3O5S — CID 55371330

IUPAC4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C22H24FN3O5S/c23-16-7-9-17(10-8-16)32(29,30)24-19-5-2-1-4-18(19)21(27)25-11-13-26(14-12-25)22(28)20-6-3-15-31-20/h1-2,4-5,7-10,20,24H,3,6,11-15H2
InChIKeyUFKHTBDLMNQTRW-UHFFFAOYSA-N
MW461.52 g/mol
LogP2.09
Rot. Bonds5

About 4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide

4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (PubChem CID 55371330) has the molecular formula C22H24FN3O5S and a molecular weight of 461.52 g/mol. Its IUPAC name is 4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
PubChem CID55371330
Molecular FormulaC22H24FN3O5S
Molecular Weight461.52 g/mol
Exact Mass461.14
IUPAC Name4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
SMILESO=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C22H24FN3O5S/c23-16-7-9-17(10-8-16)32(29,30)24-19-5-2-1-4-18(19)21(27)25-11-13-26(14-12-25)22(28)20-6-3-15-31-20/h1-2,4-5,7-10,20,24H,3,6,11-15H2
InChIKeyUFKHTBDLMNQTRW-UHFFFAOYSA-N
XLogP2.09
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(aziridine-1-carbonyl)phenyl]-4-fluorobenzenesulfonamide
CID 2336130
4-fluoro-N-[2-[4-(2-hydroxybenzoyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55646336
(2S)-N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]oxolane-2-carboxamide
CID 95233016
N-[2-[(3R,5S)-3,5-dimethylpiperidine-1-carbonyl]phenyl]-4-fluorobenzenesulfonamide
CID 2336837
4-fluoro-N-[2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 35342590
[4-(2-benzoylbenzoyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 51183590
[4-(4-fluorophenyl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 3513759
N-[2-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 55543134
[4-[1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 78848478
4-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55347391
2-oxo-N-[2-[4-(oxolan-2-ylmethyl)piperazine-1-carbonyl]phenyl]-1,3-dihydrobenzimidazole-5-sulfonamide
CID 55526238
N-[2-(4-aminopiperidine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 119375343

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide (CID 55371330) is 4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is O=C(c1ccccc1NS(=O)(=O)c1ccc(F)cc1)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
The InChIKey is UFKHTBDLMNQTRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN3O5S/c23-16-7-9-17(10-8-16)32(29,30)24-19-5-2-1-4-18(19)21(27)25-11-13-26(14-12-25)22(28)20-6-3-15-31-20/h1-2,4-5,7-10,20,24H,3,6,11-15H2.
What are the key properties of 4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide?
4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide has a molecular weight of 461.52 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[4-(oxolane-2-carbonyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 55371330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).