2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide

C10H9ClN2O2S2 — CID 67610030

IUPAC2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide
SMILESNc1c(-c2cccs2)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C10H9ClN2O2S2/c11-6-4-7(8-2-1-3-16-8)10(12)9(5-6)17(13,14)15/h1-5H,12H2,(H2,13,14,15)
InChIKeyDCWLLEGECVKOCU-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.30
Rot. Bonds2

About 2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide

2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide (PubChem CID 67610030) has the molecular formula C10H9ClN2O2S2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide
PubChem CID67610030
Molecular FormulaC10H9ClN2O2S2
Molecular Weight288.78 g/mol
Exact Mass287.98
IUPAC Name2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide
SMILESNc1c(-c2cccs2)cc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C10H9ClN2O2S2/c11-6-4-7(8-2-1-3-16-8)10(12)9(5-6)17(13,14)15/h1-5H,12H2,(H2,13,14,15)
InChIKeyDCWLLEGECVKOCU-UHFFFAOYSA-N
XLogP2.30
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide?
The IUPAC name of 2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide (CID 67610030) is 2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide?
The canonical SMILES for 2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide is Nc1c(-c2cccs2)cc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide?
The InChIKey is DCWLLEGECVKOCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O2S2/c11-6-4-7(8-2-1-3-16-8)10(12)9(5-6)17(13,14)15/h1-5H,12H2,(H2,13,14,15).
What are the key properties of 2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide?
2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide has a molecular weight of 288.78 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-3-thiophen-2-ylbenzenesulfonamide is sourced from PubChem (CID 67610030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).