5-(benzenesulfinyl)thiophene-2-sulfonamide

C10H9NO3S3 — CID 12736869

IUPAC5-(benzenesulfinyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)c2ccccc2)s1
InChIInChI=1S/C10H9NO3S3/c11-17(13,14)10-7-6-9(15-10)16(12)8-4-2-1-3-5-8/h1-7H,(H2,11,13,14)
InChIKeyIFFLBGUAAJDCPA-UHFFFAOYSA-N
MW287.39 g/mol
LogP1.56
Rot. Bonds3

About 5-(benzenesulfinyl)thiophene-2-sulfonamide

5-(benzenesulfinyl)thiophene-2-sulfonamide (PubChem CID 12736869) has the molecular formula C10H9NO3S3 and a molecular weight of 287.39 g/mol. Its IUPAC name is 5-(benzenesulfinyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(benzenesulfinyl)thiophene-2-sulfonamide
PubChem CID12736869
Molecular FormulaC10H9NO3S3
Molecular Weight287.39 g/mol
Exact Mass286.97
IUPAC Name5-(benzenesulfinyl)thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)c2ccccc2)s1
InChIInChI=1S/C10H9NO3S3/c11-17(13,14)10-7-6-9(15-10)16(12)8-4-2-1-3-5-8/h1-7H,(H2,11,13,14)
InChIKeyIFFLBGUAAJDCPA-UHFFFAOYSA-N
XLogP1.56
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfinyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(benzenesulfinyl)thiophene-2-sulfonamide (CID 12736869) is 5-(benzenesulfinyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(benzenesulfinyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(benzenesulfinyl)thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(S(=O)c2ccccc2)s1.
What is the InChIKey of 5-(benzenesulfinyl)thiophene-2-sulfonamide?
The InChIKey is IFFLBGUAAJDCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3S3/c11-17(13,14)10-7-6-9(15-10)16(12)8-4-2-1-3-5-8/h1-7H,(H2,11,13,14).
What are the key properties of 5-(benzenesulfinyl)thiophene-2-sulfonamide?
5-(benzenesulfinyl)thiophene-2-sulfonamide has a molecular weight of 287.39 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfinyl)thiophene-2-sulfonamide is sourced from PubChem (CID 12736869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).