2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

C22H23F2N3O3S — CID 94783675

IUPAC2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C22H23F2N3O3S/c23-17-8-9-19(24)22(15-17)31(28,29)25-16-20(21-7-4-14-30-21)27-12-10-26(11-13-27)18-5-2-1-3-6-18/h1-9,14-15,20,25H,10-13,16H2/t20-/m0/s1
InChIKeyJQOFUYWSPOKUEZ-FQEVSTJZSA-N
MW447.51 g/mol
LogP3.40
Rot. Bonds7

About 2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide

2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (PubChem CID 94783675) has the molecular formula C22H23F2N3O3S and a molecular weight of 447.51 g/mol. Its IUPAC name is 2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
PubChem CID94783675
Molecular FormulaC22H23F2N3O3S
Molecular Weight447.51 g/mol
Exact Mass447.14
IUPAC Name2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1F
InChIInChI=1S/C22H23F2N3O3S/c23-17-8-9-19(24)22(15-17)31(28,29)25-16-20(21-7-4-14-30-21)27-12-10-26(11-13-27)18-5-2-1-3-6-18/h1-9,14-15,20,25H,10-13,16H2/t20-/m0/s1
InChIKeyJQOFUYWSPOKUEZ-FQEVSTJZSA-N
XLogP3.40
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.51
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 27443402
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 7163117
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,4,6-trimethylbenzenesulfonamide
CID 40774908
4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 22584293
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide
CID 7163127
2,5-difluoro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 3241938
2-chloro-4-fluoro-N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]benzenesulfonamide
CID 47022446
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 40774940
2,5-difluoro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ium-4-ylethyl]benzenesulfonamide
CID 7243454
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]propanamide
CID 16809877
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 7162721
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-phenylethyl)oxamide
CID 41234310

Frequently Asked Questions

What is the IUPAC name of 2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide (CID 94783675) is 2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is O=S(=O)(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1cc(F)ccc1F.
What is the InChIKey of 2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is JQOFUYWSPOKUEZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23F2N3O3S/c23-17-8-9-19(24)22(15-17)31(28,29)25-16-20(21-7-4-14-30-21)27-12-10-26(11-13-27)18-5-2-1-3-6-18/h1-9,14-15,20,25H,10-13,16H2/t20-/m0/s1.
What are the key properties of 2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide?
2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 447.51 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 94783675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).