5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide

C12H14N2O2S2 — CID 66351008

IUPAC5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccsc2)c1C
InChIInChI=1S/C12H14N2O2S2/c1-8-5-10(13)6-12(9(8)2)18(15,16)14-11-3-4-17-7-11/h3-7,14H,13H2,1-2H3
InChIKeyPKDHKKXRSMWXRX-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.75
Rot. Bonds3

About 5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide

5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide (PubChem CID 66351008) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide
PubChem CID66351008
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccsc2)c1C
InChIInChI=1S/C12H14N2O2S2/c1-8-5-10(13)6-12(9(8)2)18(15,16)14-11-3-4-17-7-11/h3-7,14H,13H2,1-2H3
InChIKeyPKDHKKXRSMWXRX-UHFFFAOYSA-N
XLogP2.75
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide
CID 29040045
5-amino-2,3-dimethyl-N-(1-thiophen-3-ylethyl)benzenesulfonamide
CID 62841485
4-amino-2-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66350557
5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 29277276
4-amino-N-thiophen-3-ylbenzenesulfonamide
CID 66351658
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
2-amino-5-fluoro-N-thiophen-3-ylbenzenesulfonamide
CID 66351438
5-amino-2,4-dimethoxy-N-thiophen-3-ylbenzenesulfonamide
CID 102946035
5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 61467096
5-(ethylaminomethyl)-2,4-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 106069990
3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid
CID 81471366
2-methyl-5-(methylaminomethyl)-N-thiophen-3-ylthiophene-3-sulfonamide
CID 114141600

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide (CID 66351008) is 5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2ccsc2)c1C.
What is the InChIKey of 5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide?
The InChIKey is PKDHKKXRSMWXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-8-5-10(13)6-12(9(8)2)18(15,16)14-11-3-4-17-7-11/h3-7,14H,13H2,1-2H3.
What are the key properties of 5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide?
5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 2.75, 3 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-thiophen-3-ylbenzenesulfonamide is sourced from PubChem (CID 66351008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).