N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide

C17H23N3O2S2 — CID 16932936

IUPACN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCN1CCN(C(CNS(=O)(=O)c2ccccc2)c2ccsc2)CC1
InChIInChI=1S/C17H23N3O2S2/c1-19-8-10-20(11-9-19)17(15-7-12-23-14-15)13-18-24(21,22)16-5-3-2-4-6-16/h2-7,12,14,17-18H,8-11,13H2,1H3
InChIKeyQCRYFHLWXZTHRH-UHFFFAOYSA-N
MW365.52 g/mol
LogP2.02
Rot. Bonds6

About N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide

N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide (PubChem CID 16932936) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
PubChem CID16932936
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC NameN-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide
SMILESCN1CCN(C(CNS(=O)(=O)c2ccccc2)c2ccsc2)CC1
InChIInChI=1S/C17H23N3O2S2/c1-19-8-10-20(11-9-19)17(15-7-12-23-14-15)13-18-24(21,22)16-5-3-2-4-6-16/h2-7,12,14,17-18H,8-11,13H2,1H3
InChIKeyQCRYFHLWXZTHRH-UHFFFAOYSA-N
XLogP2.02
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide (CID 16932936) is N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide is CN1CCN(C(CNS(=O)(=O)c2ccccc2)c2ccsc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
The InChIKey is QCRYFHLWXZTHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-19-8-10-20(11-9-19)17(15-7-12-23-14-15)13-18-24(21,22)16-5-3-2-4-6-16/h2-7,12,14,17-18H,8-11,13H2,1H3.
What are the key properties of N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide?
N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide has a molecular weight of 365.52 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]benzenesulfonamide is sourced from PubChem (CID 16932936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).