N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide

C18H24FN3O3S — CID 7163127

IUPACN-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3O3S/c1-2-26(23,24)20-14-17(18-4-3-13-25-18)22-11-9-21(10-12-22)16-7-5-15(19)6-8-16/h3-8,13,17,20H,2,9-12,14H2,1H3/t17-/m0/s1
InChIKeyZLPBCJBLSZUMPC-KRWDZBQOSA-N
MW381.47 g/mol
LogP2.22
Rot. Bonds7

About N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide

N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide (PubChem CID 7163127) has the molecular formula C18H24FN3O3S and a molecular weight of 381.47 g/mol. Its IUPAC name is N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide
PubChem CID7163127
Molecular FormulaC18H24FN3O3S
Molecular Weight381.47 g/mol
Exact Mass381.15
IUPAC NameN-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C18H24FN3O3S/c1-2-26(23,24)20-14-17(18-4-3-13-25-18)22-11-9-21(10-12-22)16-7-5-15(19)6-8-16/h3-8,13,17,20H,2,9-12,14H2,1H3/t17-/m0/s1
InChIKeyZLPBCJBLSZUMPC-KRWDZBQOSA-N
XLogP2.22
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]propanamide
CID 16809877
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]acetamide
CID 7162857
N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methylpropyl)oxamide
CID 7162865
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 16809878
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 40774940
2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 94783675
2,5-difluoro-N-[(2S)-2-(furan-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]benzenesulfonamide
CID 27443402
N-[(4-fluorophenyl)methyl]-N'-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]oxamide
CID 41234278
N-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 7162829
N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 7163117
N'-[(2R)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 7162803
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 N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide?
The IUPAC name of N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide (CID 7163127) is N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide is CCS(=O)(=O)NC[C@@H](c1ccco1)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide?
The InChIKey is ZLPBCJBLSZUMPC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H24FN3O3S/c1-2-26(23,24)20-14-17(18-4-3-13-25-18)22-11-9-21(10-12-22)16-7-5-15(19)6-8-16/h3-8,13,17,20H,2,9-12,14H2,1H3/t17-/m0/s1.
What are the key properties of N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide?
N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide has a molecular weight of 381.47 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]ethanesulfonamide is sourced from PubChem (CID 7163127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).