5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide

C14H18N2O2S2 — CID 62841485

IUPAC5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC(C)c2ccsc2)c1C
InChIInChI=1S/C14H18N2O2S2/c1-9-6-13(15)7-14(10(9)2)20(17,18)16-11(3)12-4-5-19-8-12/h4-8,11,16H,15H2,1-3H3
InChIKeyHPZJNMKUUJCXIU-UHFFFAOYSA-N
MW310.44 g/mol
LogP2.99
Rot. Bonds4

About 5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide

5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide (PubChem CID 62841485) has the molecular formula C14H18N2O2S2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
PubChem CID62841485
Molecular FormulaC14H18N2O2S2
Molecular Weight310.44 g/mol
Exact Mass310.08
IUPAC Name5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)NC(C)c2ccsc2)c1C
InChIInChI=1S/C14H18N2O2S2/c1-9-6-13(15)7-14(10(9)2)20(17,18)16-11(3)12-4-5-19-8-12/h4-8,11,16H,15H2,1-3H3
InChIKeyHPZJNMKUUJCXIU-UHFFFAOYSA-N
XLogP2.99
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-ethoxy-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844249
5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 79962257
5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66351008
3-amino-5-fluoro-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 116791823
4-fluoro-2,6-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 107327103
5-amino-2,3-dimethyl-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208351
5-amino-N-[1-(furan-2-yl)ethyl]-2,3-dimethylbenzenesulfonamide
CID 43535591
4-bromo-3-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62844268
5-(aminomethyl)-4-methyl-N-(1-thiophen-3-ylethyl)thiophene-2-sulfonamide
CID 106056610
2-methyl-5-(1-thiophen-3-ylethylsulfamoyl)benzoic acid
CID 62841892
2-methyl-5-(methylaminomethyl)-N-(1-thiophen-3-ylethyl)furan-3-sulfonamide
CID 106056501
2-amino-4,6-dichloro-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62842182

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide (CID 62841485) is 5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)NC(C)c2ccsc2)c1C.
What is the InChIKey of 5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
The InChIKey is HPZJNMKUUJCXIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S2/c1-9-6-13(15)7-14(10(9)2)20(17,18)16-11(3)12-4-5-19-8-12/h4-8,11,16H,15H2,1-3H3.
What are the key properties of 5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide?
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide has a molecular weight of 310.44 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 62841485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).