N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide

C23H26FN3O3S — CID 40774952

IUPACN-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C23H26FN3O3S/c1-18-8-10-19(11-9-18)31(28,29)25-17-22(23-7-4-16-30-23)27-14-12-26(13-15-27)21-6-3-2-5-20(21)24/h2-11,16,22,25H,12-15,17H2,1H3/t22-/m1/s1
InChIKeyVSKOAULWADDVPZ-JOCHJYFZSA-N
MW443.54 g/mol
LogP3.57
Rot. Bonds7

About N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide

N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide (PubChem CID 40774952) has the molecular formula C23H26FN3O3S and a molecular weight of 443.54 g/mol. Its IUPAC name is N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
PubChem CID40774952
Molecular FormulaC23H26FN3O3S
Molecular Weight443.54 g/mol
Exact Mass443.17
IUPAC NameN-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1
InChIInChI=1S/C23H26FN3O3S/c1-18-8-10-19(11-9-18)31(28,29)25-17-22(23-7-4-16-30-23)27-14-12-26(13-15-27)21-6-3-2-5-20(21)24/h2-11,16,22,25H,12-15,17H2,1H3/t22-/m1/s1
InChIKeyVSKOAULWADDVPZ-JOCHJYFZSA-N
XLogP3.57
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.54
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 7163117
N-[2-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide
CID 16806022
4-bromo-N-[2-(furan-2-yl)-2-(4-phenylpiperazin-1-yl)ethyl]benzenesulfonamide
CID 22584293
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-2-methylpropanamide
CID 16809937
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethanamine
CID 45496819
2,6-difluoro-N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 41234350
N'-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 16809923
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]cyclopropanecarboxamide
CID 16809916
4-chloro-N-[(2R)-2-(furan-2-yl)-2-morpholin-4-ylethyl]benzenesulfonamide
CID 7243475
N'-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-N-(2-methoxyethyl)oxamide
CID 7162925
4-fluoro-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]benzamide
CID 16809917
N-[(2S)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyridin-3-ylethyl]benzenesulfonamide
CID 40607001

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide (CID 40774952) is N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1.
What is the InChIKey of N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide?
The InChIKey is VSKOAULWADDVPZ-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H26FN3O3S/c1-18-8-10-19(11-9-18)31(28,29)25-17-22(23-7-4-16-30-23)27-14-12-26(13-15-27)21-6-3-2-5-20(21)24/h2-11,16,22,25H,12-15,17H2,1H3/t22-/m1/s1.
What are the key properties of N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide?
N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide has a molecular weight of 443.54 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 40774952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).