2-amino-4-(thiophen-3-ylamino)benzenesulfonamide

C10H11N3O2S2 — CID 79466458

IUPAC2-amino-4-(thiophen-3-ylamino)benzenesulfonamide
SMILESNc1cc(Nc2ccsc2)ccc1S(N)(=O)=O
InChIInChI=1S/C10H11N3O2S2/c11-9-5-7(13-8-3-4-16-6-8)1-2-10(9)17(12,14)15/h1-6,13H,11H2,(H2,12,14,15)
InChIKeyWYGIUPXHPSQCNP-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.72
Rot. Bonds3

About 2-amino-4-(thiophen-3-ylamino)benzenesulfonamide

2-amino-4-(thiophen-3-ylamino)benzenesulfonamide (PubChem CID 79466458) has the molecular formula C10H11N3O2S2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-amino-4-(thiophen-3-ylamino)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-4-(thiophen-3-ylamino)benzenesulfonamide
PubChem CID79466458
Molecular FormulaC10H11N3O2S2
Molecular Weight269.35 g/mol
Exact Mass269.03
IUPAC Name2-amino-4-(thiophen-3-ylamino)benzenesulfonamide
SMILESNc1cc(Nc2ccsc2)ccc1S(N)(=O)=O
InChIInChI=1S/C10H11N3O2S2/c11-9-5-7(13-8-3-4-16-6-8)1-2-10(9)17(12,14)15/h1-6,13H,11H2,(H2,12,14,15)
InChIKeyWYGIUPXHPSQCNP-UHFFFAOYSA-N
XLogP1.72
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(ethylamino)benzenesulfonamide
CID 79466329
2-amino-4-[(4-bromothiophen-2-yl)methylamino]benzenesulfonamide
CID 79466376
2-amino-4-[(1-methylpyrazol-4-yl)amino]benzenesulfonamide
CID 79770383
2-amino-4-(2,5-dibromoanilino)benzenesulfonamide
CID 79467601
2-amino-4-(2-methylanilino)benzenesulfonamide
CID 79466882
3-amino-4-(thiophen-3-ylsulfamoyl)benzoic acid
CID 81471366
2-amino-4-(2,6-dichloro-4-fluoroanilino)benzenesulfonamide
CID 83078013
2-amino-4-(2-hydroxyethylamino)benzenesulfonamide
CID 79467584
2-amino-4-(thiophen-2-ylmethylamino)benzenesulfonamide
CID 79466591
2-amino-4-(4-bromo-2-chloroanilino)benzenesulfonamide
CID 79466509
2-amino-4-(2,2,2-trifluoroethylamino)benzenesulfonamide
CID 79467392
2-amino-4-(1,3-dihydroxypropan-2-ylamino)benzenesulfonamide
CID 79467002

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(thiophen-3-ylamino)benzenesulfonamide?
The IUPAC name of 2-amino-4-(thiophen-3-ylamino)benzenesulfonamide (CID 79466458) is 2-amino-4-(thiophen-3-ylamino)benzenesulfonamide.
What is the SMILES notation for 2-amino-4-(thiophen-3-ylamino)benzenesulfonamide?
The canonical SMILES for 2-amino-4-(thiophen-3-ylamino)benzenesulfonamide is Nc1cc(Nc2ccsc2)ccc1S(N)(=O)=O.
What is the InChIKey of 2-amino-4-(thiophen-3-ylamino)benzenesulfonamide?
The InChIKey is WYGIUPXHPSQCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S2/c11-9-5-7(13-8-3-4-16-6-8)1-2-10(9)17(12,14)15/h1-6,13H,11H2,(H2,12,14,15).
What are the key properties of 2-amino-4-(thiophen-3-ylamino)benzenesulfonamide?
2-amino-4-(thiophen-3-ylamino)benzenesulfonamide has a molecular weight of 269.35 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(thiophen-3-ylamino)benzenesulfonamide is sourced from PubChem (CID 79466458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).