N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide

C17H23N3O2S2 — CID 112502661

IUPACN-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCCCN1CCN(c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C17H23N3O2S2/c1-2-9-19-10-12-20(13-11-19)16-7-5-15(6-8-16)18-24(21,22)17-4-3-14-23-17/h3-8,14,18H,2,9-13H2,1H3
InChIKeyVZDPGCQTFSGDDX-UHFFFAOYSA-N
MW365.52 g/mol
LogP3.08
Rot. Bonds6

About N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide

N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide (PubChem CID 112502661) has the molecular formula C17H23N3O2S2 and a molecular weight of 365.52 g/mol. Its IUPAC name is N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
PubChem CID112502661
Molecular FormulaC17H23N3O2S2
Molecular Weight365.52 g/mol
Exact Mass365.12
IUPAC NameN-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide
SMILESCCCN1CCN(c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1
InChIInChI=1S/C17H23N3O2S2/c1-2-9-19-10-12-20(13-11-19)16-7-5-15(6-8-16)18-24(21,22)17-4-3-14-23-17/h3-8,14,18H,2,9-13H2,1H3
InChIKeyVZDPGCQTFSGDDX-UHFFFAOYSA-N
XLogP3.08
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 ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1-propylazetidin-3-yl)phenyl]thiophene-2-sulfonamide
CID 86636901
3-methyl-N-[4-(4-propylpiperazin-1-yl)phenyl]benzenesulfonamide
CID 112502665
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]thiophene-2-sulfonamide
CID 42389425
N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]thiophene-2-sulfonamide
CID 110314426
1-(2-methylphenyl)-N-[4-(4-propylpiperazin-1-yl)phenyl]methanesulfonamide
CID 112502667
4-[4-(2-methoxyethyl)piperazin-1-yl]-N-(propylsulfamoyl)aniline
CID 110627182
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)acetamide
CID 24680238
N-[4-(2-oxopyrrolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 7635774
N-[4-(2-oxoimidazolidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 60707214
N-[2-(4-phenylpiperazin-1-yl)propyl]-2-[4-(thiophen-2-ylsulfonylamino)phenyl]acetamide
CID 55694978
2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(thiophen-2-ylsulfonylamino)benzoic acid
CID 46291585
N-[4-(4-ethoxyanilino)phenyl]thiophene-2-sulfonamide
CID 112987709

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide (CID 112502661) is N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide is CCCN1CCN(c2ccc(NS(=O)(=O)c3cccs3)cc2)CC1.
What is the InChIKey of N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide?
The InChIKey is VZDPGCQTFSGDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2S2/c1-2-9-19-10-12-20(13-11-19)16-7-5-15(6-8-16)18-24(21,22)17-4-3-14-23-17/h3-8,14,18H,2,9-13H2,1H3.
What are the key properties of N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide?
N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide has a molecular weight of 365.52 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-propylpiperazin-1-yl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 112502661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).