4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide

C11H13N3O2S2 — CID 82899421

IUPAC4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1NCc1ccsc1
InChIInChI=1S/C11H13N3O2S2/c12-10-2-1-9(18(13,15)16)5-11(10)14-6-8-3-4-17-7-8/h1-5,7,14H,6,12H2,(H2,13,15,16)
InChIKeyFXKDATJBIFDJEE-UHFFFAOYSA-N
MW283.38 g/mol
LogP1.59
Rot. Bonds4

About 4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide

4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide (PubChem CID 82899421) has the molecular formula C11H13N3O2S2 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide
PubChem CID82899421
Molecular FormulaC11H13N3O2S2
Molecular Weight283.38 g/mol
Exact Mass283.04
IUPAC Name4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1NCc1ccsc1
InChIInChI=1S/C11H13N3O2S2/c12-10-2-1-9(18(13,15)16)5-11(10)14-6-8-3-4-17-7-8/h1-5,7,14H,6,12H2,(H2,13,15,16)
InChIKeyFXKDATJBIFDJEE-UHFFFAOYSA-N
XLogP1.59
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide 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

3-fluoro-4-(thiophen-3-ylmethylamino)benzenesulfonamide
CID 60964601
4-amino-3-[(4-ethylphenyl)methylamino]benzenesulfonamide
CID 106899228
4-amino-3-(1H-pyrazol-4-ylmethylamino)benzenesulfonamide
CID 82907394
4-amino-3-[(2-ethylphenyl)methylamino]benzenesulfonamide
CID 82899590
4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 82907842
4-amino-3-[2-(dimethylamino)ethylamino]benzenesulfonamide
CID 82907605
4-amino-3-(2-cyclopropylethylamino)benzenesulfonamide
CID 82898306
4-amino-3-[(5-bromo-2-fluorophenyl)methylamino]benzenesulfonamide
CID 82900077
4-amino-3-[(5-methylpyrazin-2-yl)methylamino]benzenesulfonamide
CID 82900249
4-bromo-2-N-(2-thiophen-3-ylethyl)benzene-1,2-diamine
CID 65343541
4-amino-3-(cyclopentylmethylamino)benzenesulfonamide
CID 82907537
4-amino-3-(6-hydroxyhexylamino)benzenesulfonamide
CID 107843856

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide?
The IUPAC name of 4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide (CID 82899421) is 4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1NCc1ccsc1.
What is the InChIKey of 4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide?
The InChIKey is FXKDATJBIFDJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S2/c12-10-2-1-9(18(13,15)16)5-11(10)14-6-8-3-4-17-7-8/h1-5,7,14H,6,12H2,(H2,13,15,16).
What are the key properties of 4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide?
4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide has a molecular weight of 283.38 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(thiophen-3-ylmethylamino)benzenesulfonamide is sourced from PubChem (CID 82899421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).