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

C17H23N3O2S2 — CID 34247451

IUPACN-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCN1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C17H23N3O2S2/c21-24(22,17-7-4-14-23-17)18-8-9-19-10-12-20(13-11-19)15-16-5-2-1-3-6-16/h1-7,14,18H,8-13,15H2
InChIKeyZNXVFSWWGHWDLX-UHFFFAOYSA-N
MW365.52 g/mol
LogP1.84
Rot. Bonds7

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

N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (PubChem CID 34247451) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
PubChem CID34247451
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC NameN-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide
SMILESO=S(=O)(NCCN1CCN(Cc2ccccc2)CC1)c1cccs1
InChIInChI=1S/C17H23N3O2S2/c21-24(22,17-7-4-14-23-17)18-8-9-19-10-12-20(13-11-19)15-16-5-2-1-3-6-16/h1-7,14,18H,8-13,15H2
InChIKeyZNXVFSWWGHWDLX-UHFFFAOYSA-N
XLogP1.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-pyrrolidin-1-ylethyl)thiophene-2-sulfonamide
CID 91007223
1-benzyl-4-thiophen-2-ylsulfonylpiperazine;hydrochloride
CID 52997928
N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]thiophene-2-sulfonamide
CID 110397722
N-(4-phenylbutyl)thiophene-2-sulfonamide
CID 3802488
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]thiophene-2-sulfonamide
CID 58859301
N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)hexyl]thiophene-2-sulfonamide;hydrochloride
CID 21092413
N-[[3-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-sulfonamide
CID 94136143
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide
CID 42389425
N-[3-(4-benzylpiperazin-1-yl)propyl]-4-phenylbenzenesulfonamide
CID 166869256
methyl N'-(1-benzylpiperidin-4-yl)-N-thiophen-2-ylsulfonylcarbamimidothioate
CID 2354486
1-benzyl-4-(2-methylsulfonylethyl)piperazine
CID 78787270
N-[(1-benzyl-5-oxopyrrolidin-3-yl)methyl]thiophene-2-sulfonamide
CID 16919844

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The IUPAC name of N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide (CID 34247451) is N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is O=S(=O)(NCCN1CCN(Cc2ccccc2)CC1)c1cccs1.
What is the InChIKey of N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
The InChIKey is ZNXVFSWWGHWDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c21-24(22,17-7-4-14-23-17)18-8-9-19-10-12-20(13-11-19)15-16-5-2-1-3-6-16/h1-7,14,18H,8-13,15H2.
What are the key properties of N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide?
N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide has a molecular weight of 365.52 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-benzylpiperazin-1-yl)ethyl]thiophene-2-sulfonamide is sourced from PubChem (CID 34247451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).