4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide

C9H9N3O2S2 — CID 71368723

IUPAC4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1-c1nccs1
InChIInChI=1S/C9H9N3O2S2/c10-8-2-1-6(16(11,13)14)5-7(8)9-12-3-4-15-9/h1-5H,10H2,(H2,11,13,14)
InChIKeyLHXRLSCDIHUDOD-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.04
Rot. Bonds2

About 4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide

4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 71368723) has the molecular formula C9H9N3O2S2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID71368723
Molecular FormulaC9H9N3O2S2
Molecular Weight255.32 g/mol
Exact Mass255.01
IUPAC Name4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESNc1ccc(S(N)(=O)=O)cc1-c1nccs1
InChIInChI=1S/C9H9N3O2S2/c10-8-2-1-6(16(11,13)14)5-7(8)9-12-3-4-15-9/h1-5H,10H2,(H2,11,13,14)
InChIKeyLHXRLSCDIHUDOD-UHFFFAOYSA-N
XLogP1.04
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide (CID 71368723) is 4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide is Nc1ccc(S(N)(=O)=O)cc1-c1nccs1.
What is the InChIKey of 4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is LHXRLSCDIHUDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2S2/c10-8-2-1-6(16(11,13)14)5-7(8)9-12-3-4-15-9/h1-5H,10H2,(H2,11,13,14).
What are the key properties of 4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide?
4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 255.32 g/mol, XLogP of 1.04, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 71368723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).