5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide

C18H24FN3O2S2 — CID 42268183

IUPAC5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3F)CC2)s1
InChIInChI=1S/C18H24FN3O2S2/c1-2-15-7-8-18(25-15)26(23,24)20-9-10-21-11-13-22(14-12-21)17-6-4-3-5-16(17)19/h3-8,20H,2,9-14H2,1H3
InChIKeyTXURVMWYAWDVCV-UHFFFAOYSA-N
MW397.54 g/mol
LogP2.55
Rot. Bonds7

About 5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide

5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 42268183) has the molecular formula C18H24FN3O2S2 and a molecular weight of 397.54 g/mol. Its IUPAC name is 5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID42268183
Molecular FormulaC18H24FN3O2S2
Molecular Weight397.54 g/mol
Exact Mass397.13
IUPAC Name5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESCCc1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3F)CC2)s1
InChIInChI=1S/C18H24FN3O2S2/c1-2-15-7-8-18(25-15)26(23,24)20-9-10-21-11-13-22(14-12-21)17-6-4-3-5-16(17)19/h3-8,20H,2,9-14H2,1H3
InChIKeyTXURVMWYAWDVCV-UHFFFAOYSA-N
XLogP2.55
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.54
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of 5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide (CID 42268183) is 5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide is CCc1ccc(S(=O)(=O)NCCN2CCN(c3ccccc3F)CC2)s1.
What is the InChIKey of 5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is TXURVMWYAWDVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2S2/c1-2-15-7-8-18(25-15)26(23,24)20-9-10-21-11-13-22(14-12-21)17-6-4-3-5-16(17)19/h3-8,20H,2,9-14H2,1H3.
What are the key properties of 5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 397.54 g/mol, XLogP of 2.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42268183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).