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

C16H20FN3O2S2 — CID 42268111

IUPACN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCN1CCN(c2ccccc2F)CC1)c1cccs1
InChIInChI=1S/C16H20FN3O2S2/c17-14-4-1-2-5-15(14)20-11-9-19(10-12-20)8-7-18-24(21,22)16-6-3-13-23-16/h1-6,13,18H,7-12H2
InChIKeySOFJEUKKHAHODZ-UHFFFAOYSA-N
MW369.49 g/mol
LogP1.99
Rot. Bonds6

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

N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide (PubChem CID 42268111) has the molecular formula C16H20FN3O2S2 and a molecular weight of 369.49 g/mol. Its IUPAC name is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
PubChem CID42268111
Molecular FormulaC16H20FN3O2S2
Molecular Weight369.49 g/mol
Exact Mass369.10
IUPAC NameN-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCN1CCN(c2ccccc2F)CC1)c1cccs1
InChIInChI=1S/C16H20FN3O2S2/c17-14-4-1-2-5-15(14)20-11-9-19(10-12-20)8-7-18-24(21,22)16-6-3-13-23-16/h1-6,13,18H,7-12H2
InChIKeySOFJEUKKHAHODZ-UHFFFAOYSA-N
XLogP1.99
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide (CID 42268111) is N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCN1CCN(c2ccccc2F)CC1)c1cccs1.
What is the InChIKey of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
The InChIKey is SOFJEUKKHAHODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O2S2/c17-14-4-1-2-5-15(14)20-11-9-19(10-12-20)8-7-18-24(21,22)16-6-3-13-23-16/h1-6,13,18H,7-12H2.
What are the key properties of N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide?
N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide has a molecular weight of 369.49 g/mol, XLogP of 1.99, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-fluorophenyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 42268111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).