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

C13H16N2O2S2 — CID 18801910

IUPAC4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C13H16N2O2S2/c14-10-11-3-5-13(6-4-11)19(16,17)15-8-7-12-2-1-9-18-12/h1-6,9,15H,7-8,10,14H2
InChIKeyWVZYLUDLGMTNDY-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.73
Rot. Bonds6

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

4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (PubChem CID 18801910) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
PubChem CID18801910
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
SMILESNCc1ccc(S(=O)(=O)NCCc2cccs2)cc1
InChIInChI=1S/C13H16N2O2S2/c14-10-11-3-5-13(6-4-11)19(16,17)15-8-7-12-2-1-9-18-12/h1-6,9,15H,7-8,10,14H2
InChIKeyWVZYLUDLGMTNDY-UHFFFAOYSA-N
XLogP1.73
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-propyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793246
5-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1H-pyrrole-3-sulfonamide
CID 114132189
3-bromo-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 3793268
4-(aminomethyl)-N-(2-methyl-2-thiophen-2-ylpropyl)benzenesulfonamide
CID 80522231
4-(2,5-dimethyl-1,3-oxazol-4-yl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 110675358
6-(ethylamino)-N-(2-thiophen-2-ylethyl)pyridine-3-sulfonamide
CID 62144358
3-amino-2-nitro-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 115993312
1,3-dimethyl-2-oxo-N-(2-thiophen-2-ylethyl)benzimidazole-5-sulfonamide
CID 49454127
4-(2-thiophen-2-ylethylsulfamoyl)thiophene-2-carboxylic acid
CID 61072796
N-[3-(4-methoxyphenyl)propyl]-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 55976933
N-hexyl-4-(2-thiophen-2-ylethylsulfamoyl)benzamide
CID 30854127
4-(2,5-dioxopyrrolidin-1-yl)-3-methyl-N-(2-thiophen-2-ylethyl)benzenesulfonamide
CID 43853598

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide (CID 18801910) is 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is NCc1ccc(S(=O)(=O)NCCc2cccs2)cc1.
What is the InChIKey of 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
The InChIKey is WVZYLUDLGMTNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c14-10-11-3-5-13(6-4-11)19(16,17)15-8-7-12-2-1-9-18-12/h1-6,9,15H,7-8,10,14H2.
What are the key properties of 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide?
4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-thiophen-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 18801910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).