4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide

C13H16N2O2S2 — CID 55130085

IUPAC4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NC(C)c2ccsc2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-10(11-7-8-18-9-11)15-19(16,17)13-5-3-12(14-2)4-6-13/h3-10,14-15H,1-2H3
InChIKeyRRWQVKXCGSJHEM-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.83
Rot. Bonds5

About 4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide

4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 55130085) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID55130085
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NC(C)c2ccsc2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-10(11-7-8-18-9-11)15-19(16,17)13-5-3-12(14-2)4-6-13/h3-10,14-15H,1-2H3
InChIKeyRRWQVKXCGSJHEM-UHFFFAOYSA-N
XLogP2.83
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(methylamino)ethyl]-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844597
4-bromo-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844441
4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844268
2-[4-(1-thiophen-3-ylethylsulfamoyl)phenyl]ethanethioamide
CID 79203391
N-(1-thiophen-3-ylethyl)propane-2-sulfonamide
CID 64586301
2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 62841892
3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 116791823
2-chloro-4-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 107090063
(1S)-N-methyl-1-thiophen-3-ylethanamine
CID 92981912
5-bromo-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 62844793
4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 107327103
1-(4-methylsulfonylphenyl)-N-(1-thiophen-3-ylethyl)ethanamine
CID 62841313

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide (CID 55130085) is 4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide is CNc1ccc(S(=O)(=O)NC(C)c2ccsc2)cc1.
What is the InChIKey of 4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is RRWQVKXCGSJHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-10(11-7-8-18-9-11)15-19(16,17)13-5-3-12(14-2)4-6-13/h3-10,14-15H,1-2H3.
What are the key properties of 4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(1-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 55130085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).