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

C18H24ClN3O2S2 — CID 16933004

IUPAC1-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]methanesulfonamide
SMILESCN1CCN(C(CNS(=O)(=O)Cc2ccc(Cl)cc2)c2ccsc2)CC1
InChIInChI=1S/C18H24ClN3O2S2/c1-21-7-9-22(10-8-21)18(16-6-11-25-13-16)12-20-26(23,24)14-15-2-4-17(19)5-3-15/h2-6,11,13,18,20H,7-10,12,14H2,1H3
InChIKeyFQXHOLBZCBYYJF-UHFFFAOYSA-N
MW414.00 g/mol
LogP2.81
Rot. Bonds7

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

1-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]methanesulfonamide (PubChem CID 16933004) has the molecular formula C18H24ClN3O2S2 and a molecular weight of 414.00 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]methanesulfonamide
PubChem CID16933004
Molecular FormulaC18H24ClN3O2S2
Molecular Weight414.00 g/mol
Exact Mass413.10
IUPAC Name1-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]methanesulfonamide
SMILESCN1CCN(C(CNS(=O)(=O)Cc2ccc(Cl)cc2)c2ccsc2)CC1
InChIInChI=1S/C18H24ClN3O2S2/c1-21-7-9-22(10-8-21)18(16-6-11-25-13-16)12-20-26(23,24)14-15-2-4-17(19)5-3-15/h2-6,11,13,18,20H,7-10,12,14H2,1H3
InChIKeyFQXHOLBZCBYYJF-UHFFFAOYSA-N
XLogP2.81
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.00
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]methanesulfonamide (CID 16933004) is 1-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]methanesulfonamide is CN1CCN(C(CNS(=O)(=O)Cc2ccc(Cl)cc2)c2ccsc2)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]methanesulfonamide?
The InChIKey is FQXHOLBZCBYYJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2S2/c1-21-7-9-22(10-8-21)18(16-6-11-25-13-16)12-20-26(23,24)14-15-2-4-17(19)5-3-15/h2-6,11,13,18,20H,7-10,12,14H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]methanesulfonamide has a molecular weight of 414.00 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[2-(4-methylpiperazin-1-yl)-2-thiophen-3-ylethyl]methanesulfonamide is sourced from PubChem (CID 16933004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).