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

C17H22FN3O2S2 — CID 42267738

IUPACN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C17H22FN3O2S2/c1-14-2-7-17(24-14)25(22,23)19-8-9-20-10-12-21(13-11-20)16-5-3-15(18)4-6-16/h2-7,19H,8-13H2,1H3
InChIKeyHIQOXASARZHIRK-UHFFFAOYSA-N
MW383.51 g/mol
LogP2.30
Rot. Bonds6

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

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide (PubChem CID 42267738) has the molecular formula C17H22FN3O2S2 and a molecular weight of 383.51 g/mol. Its IUPAC name is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide
PubChem CID42267738
Molecular FormulaC17H22FN3O2S2
Molecular Weight383.51 g/mol
Exact Mass383.11
IUPAC NameN-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide
SMILESCc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C17H22FN3O2S2/c1-14-2-7-17(24-14)25(22,23)19-8-9-20-10-12-21(13-11-20)16-5-3-15(18)4-6-16/h2-7,19H,8-13H2,1H3
InChIKeyHIQOXASARZHIRK-UHFFFAOYSA-N
XLogP2.30
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.51
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide?
The IUPAC name of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide (CID 42267738) is N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide.
What is the SMILES notation for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide?
The canonical SMILES for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide is Cc1ccc(S(=O)(=O)NCCN2CCN(c3ccc(F)cc3)CC2)s1.
What is the InChIKey of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide?
The InChIKey is HIQOXASARZHIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2S2/c1-14-2-7-17(24-14)25(22,23)19-8-9-20-10-12-21(13-11-20)16-5-3-15(18)4-6-16/h2-7,19H,8-13H2,1H3.
What are the key properties of N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide?
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide has a molecular weight of 383.51 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-5-methylthiophene-2-sulfonamide is sourced from PubChem (CID 42267738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).