5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide

C10H10N2O2S3 — CID 12736863

IUPAC5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide
SMILESNc1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C10H10N2O2S3/c11-7-1-3-8(4-2-7)15-9-5-6-10(16-9)17(12,13)14/h1-6H,11H2,(H2,12,13,14)
InChIKeyVXGRVTFEIXIPGX-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.13
Rot. Bonds3

About 5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide

5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide (PubChem CID 12736863) has the molecular formula C10H10N2O2S3 and a molecular weight of 286.40 g/mol. Its IUPAC name is 5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide
PubChem CID12736863
Molecular FormulaC10H10N2O2S3
Molecular Weight286.40 g/mol
Exact Mass285.99
IUPAC Name5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide
SMILESNc1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C10H10N2O2S3/c11-7-1-3-8(4-2-7)15-9-5-6-10(16-9)17(12,13)14/h1-6H,11H2,(H2,12,13,14)
InChIKeyVXGRVTFEIXIPGX-UHFFFAOYSA-N
XLogP2.13
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.13
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 5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide?
The IUPAC name of 5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide (CID 12736863) is 5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide?
The canonical SMILES for 5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide is Nc1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide?
The InChIKey is VXGRVTFEIXIPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2S3/c11-7-1-3-8(4-2-7)15-9-5-6-10(16-9)17(12,13)14/h1-6H,11H2,(H2,12,13,14).
What are the key properties of 5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide?
5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide has a molecular weight of 286.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)sulfanylthiophene-2-sulfonamide is sourced from PubChem (CID 12736863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).