5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide

C12H14N2O4S2 — CID 102946035

IUPAC5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)Nc2ccsc2)cc1N
InChIInChI=1S/C12H14N2O4S2/c1-17-10-6-11(18-2)12(5-9(10)13)20(15,16)14-8-3-4-19-7-8/h3-7,14H,13H2,1-2H3
InChIKeyWFJDWIKKDOCBDX-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.15
Rot. Bonds5

About 5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide

5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 102946035) has the molecular formula C12H14N2O4S2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide
PubChem CID102946035
Molecular FormulaC12H14N2O4S2
Molecular Weight314.39 g/mol
Exact Mass314.04
IUPAC Name5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide
SMILESCOc1cc(OC)c(S(=O)(=O)Nc2ccsc2)cc1N
InChIInChI=1S/C12H14N2O4S2/c1-17-10-6-11(18-2)12(5-9(10)13)20(15,16)14-8-3-4-19-7-8/h3-7,14H,13H2,1-2H3
InChIKeyWFJDWIKKDOCBDX-UHFFFAOYSA-N
XLogP2.15
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66351008
5-amino-2,4-dimethoxy-N-pyrimidin-2-ylbenzenesulfonamide
CID 102945870
2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66351438
5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide
CID 102945838
4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66350557
5-amino-2-methoxy-4-methyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 79962257
5-amino-2-methoxy-4-methyl-N-(3-methylphenyl)benzenesulfonamide
CID 79961698
3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid
CID 81471366
methyl 2-methoxy-4-(thiophen-3-ylsulfamoyl)benzoate
CID 100703324
5-amino-N-(2,3-dimethylbutyl)-2,4-dimethoxybenzenesulfonamide
CID 102946020
3-amino-4-ethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66352299
5-amino-2,4-dimethoxy-N-(3-methyl-1,2,4-oxadiazol-5-yl)benzenesulfonamide
CID 102946142

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide (CID 102946035) is 5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide is COc1cc(OC)c(S(=O)(=O)Nc2ccsc2)cc1N.
What is the InChIKey of 5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is WFJDWIKKDOCBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4S2/c1-17-10-6-11(18-2)12(5-9(10)13)20(15,16)14-8-3-4-19-7-8/h3-7,14H,13H2,1-2H3.
What are the key properties of 5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide?
5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 314.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 102946035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).