4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

C18H24ClN3O2S2 — CID 3239377

IUPAC4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C18H24ClN3O2S2/c1-14(20-26(23,24)16-7-5-15(19)6-8-16)18(17-4-3-13-25-17)22-11-9-21(2)10-12-22/h3-8,13-14,18,20H,9-12H2,1-2H3
InChIKeyFKMXUYYKNOCSAV-UHFFFAOYSA-N
MW414.00 g/mol
LogP3.06
Rot. Bonds6

About 4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide

4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (PubChem CID 3239377) has the molecular formula C18H24ClN3O2S2 and a molecular weight of 414.00 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
PubChem CID3239377
Molecular FormulaC18H24ClN3O2S2
Molecular Weight414.00 g/mol
Exact Mass413.10
IUPAC Name4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(Cl)cc1)C(c1cccs1)N1CCN(C)CC1
InChIInChI=1S/C18H24ClN3O2S2/c1-14(20-26(23,24)16-7-5-15(19)6-8-16)18(17-4-3-13-25-17)22-11-9-21(2)10-12-22/h3-8,13-14,18,20H,9-12H2,1-2H3
InChIKeyFKMXUYYKNOCSAV-UHFFFAOYSA-N
XLogP3.06
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.00
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide with MolForge

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Related Compounds

1-((4-Chlorophenyl)sulfonyl)-2-(2-thienyl)pyrrolidine
CID 2805672
(2S)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 6919104
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)methanesulfonamide
CID 3236587
4-methyl-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3238758
4-fluoro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 3242269
N-[1-(4-ethylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide
CID 6710502
(2R)-1-(4-chlorophenyl)sulfonyl-2-thiophen-2-ylpyrrolidine
CID 6929479
2-(4-chlorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)ethanamine
CID 2820267
1-[2-(4-Chlorophenyl)sulfonylethyl]-3-methyl-1-(thiophen-2-ylmethyl)thiourea
CID 2820333
1-Benzyl-4-[(5-chlorothien-2-yl)sulfonyl]piperazine
CID 2823175
N-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)benzenesulfonamide
CID 3240790
N-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)-4-fluorobenzenesulfonamide
CID 5310550

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide (CID 3239377) is 4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is CC(NS(=O)(=O)c1ccc(Cl)cc1)C(c1cccs1)N1CCN(C)CC1.
What is the InChIKey of 4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
The InChIKey is FKMXUYYKNOCSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2S2/c1-14(20-26(23,24)16-7-5-15(19)6-8-16)18(17-4-3-13-25-17)22-11-9-21(2)10-12-22/h3-8,13-14,18,20H,9-12H2,1-2H3.
What are the key properties of 4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide?
4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide has a molecular weight of 414.00 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-methylpiperazin-1-yl)-1-thiophen-2-ylpropan-2-yl]benzenesulfonamide is sourced from PubChem (CID 3239377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).