4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

C15H19NO2S2 — CID 3793246

IUPAC4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C15H19NO2S2/c1-2-4-13-6-8-15(9-7-13)20(17,18)16-11-10-14-5-3-12-19-14/h3,5-9,12,16H,2,4,10-11H2,1H3
InChIKeyMBIVYAKDWKVBTI-UHFFFAOYSA-N
MW309.46 g/mol
LogP3.22
Rot. Bonds7

About 4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide

4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 3793246) has the molecular formula C15H19NO2S2 and a molecular weight of 309.46 g/mol. Its IUPAC name is 4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID3793246
Molecular FormulaC15H19NO2S2
Molecular Weight309.46 g/mol
Exact Mass309.09
IUPAC Name4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESCCCc1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C15H19NO2S2/c1-2-4-13-6-8-15(9-7-13)20(17,18)16-11-10-14-5-3-12-19-14/h3,5-9,12,16H,2,4,10-11H2,1H3
InChIKeyMBIVYAKDWKVBTI-UHFFFAOYSA-N
XLogP3.22
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.46
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 18801910
6-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62144358
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyrimidine-5-sulfonamide
CID 62144877
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
N-[2-(3,5-dithiophen-2-yl-1H-pyrazol-4-yl)ethyl]-4-propylbenzenesulfonamide
CID 59811044
N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55976933
2-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-4-sulfonamide
CID 62145050
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110675358
3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793268
N-[4-(propylsulfamoyl)phenyl]-4-thiophen-2-ylbutanamide
CID 38356025
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide
CID 49454127
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 3793246) is 4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is CCCc1ccc(S(=O)(=O)NCCc2cccs2)cc1.
What is the InChIKey of 4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is MBIVYAKDWKVBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2S2/c1-2-4-13-6-8-15(9-7-13)20(17,18)16-11-10-14-5-3-12-19-14/h3,5-9,12,16H,2,4,10-11H2,1H3.
What are the key properties of 4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 309.46 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 3793246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).