N-(2-phenylsulfanylethyl)thiophene-2-sulfonamide

C12H13NO2S3 — CID 2894259

IUPACN-(2-phenylsulfanylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCSc1ccccc1)c1cccs1
InChIInChI=1S/C12H13NO2S3/c14-18(15,12-7-4-9-17-12)13-8-10-16-11-5-2-1-3-6-11/h1-7,9,13H,8,10H2
InChIKeyBHWNJBAHVNQOAB-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.82
Rot. Bonds6

About N-(2-phenylsulfanylethyl)thiophene-2-sulfonamide

N-(2-phenylsulfanylethyl)thiophene-2-sulfonamide (PubChem CID 2894259) has the molecular formula C12H13NO2S3 and a molecular weight of 299.44 g/mol. Its IUPAC name is N-(2-phenylsulfanylethyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(2-phenylsulfanylethyl)thiophene-2-sulfonamide
PubChem CID2894259
Molecular FormulaC12H13NO2S3
Molecular Weight299.44 g/mol
Exact Mass299.01
IUPAC NameN-(2-phenylsulfanylethyl)thiophene-2-sulfonamide
SMILESO=S(=O)(NCCSc1ccccc1)c1cccs1
InChIInChI=1S/C12H13NO2S3/c14-18(15,12-7-4-9-17-12)13-8-10-16-11-5-2-1-3-6-11/h1-7,9,13H,8,10H2
InChIKeyBHWNJBAHVNQOAB-UHFFFAOYSA-N
XLogP2.82
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-phenylsulfanylethyl)thiophene-2-sulfonamide?
The IUPAC name of N-(2-phenylsulfanylethyl)thiophene-2-sulfonamide (CID 2894259) is N-(2-phenylsulfanylethyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(2-phenylsulfanylethyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(2-phenylsulfanylethyl)thiophene-2-sulfonamide is O=S(=O)(NCCSc1ccccc1)c1cccs1.
What is the InChIKey of N-(2-phenylsulfanylethyl)thiophene-2-sulfonamide?
The InChIKey is BHWNJBAHVNQOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2S3/c14-18(15,12-7-4-9-17-12)13-8-10-16-11-5-2-1-3-6-11/h1-7,9,13H,8,10H2.
What are the key properties of N-(2-phenylsulfanylethyl)thiophene-2-sulfonamide?
N-(2-phenylsulfanylethyl)thiophene-2-sulfonamide has a molecular weight of 299.44 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylsulfanylethyl)thiophene-2-sulfonamide is sourced from PubChem (CID 2894259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).