5-benzylsulfanylthiophene-2-sulfonamide

C11H11NO2S3 — CID 134132835

IUPAC5-benzylsulfanylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(SCc2ccccc2)s1
InChIInChI=1S/C11H11NO2S3/c12-17(13,14)11-7-6-10(16-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13,14)
InChIKeyVLFJWOLRJPMSIP-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.69
Rot. Bonds4

About 5-benzylsulfanylthiophene-2-sulfonamide

5-benzylsulfanylthiophene-2-sulfonamide (PubChem CID 134132835) has the molecular formula C11H11NO2S3 and a molecular weight of 285.41 g/mol. Its IUPAC name is 5-benzylsulfanylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-benzylsulfanylthiophene-2-sulfonamide
PubChem CID134132835
Molecular FormulaC11H11NO2S3
Molecular Weight285.41 g/mol
Exact Mass285.00
IUPAC Name5-benzylsulfanylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(SCc2ccccc2)s1
InChIInChI=1S/C11H11NO2S3/c12-17(13,14)11-7-6-10(16-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13,14)
InChIKeyVLFJWOLRJPMSIP-UHFFFAOYSA-N
XLogP2.69
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-N-[2-(thiophen-2-yl)ethyl]benzene-1-sulfonamide
CID 711102
N-benzylthiophene-2-sulfonamide
CID 765826
1-Benzothiophene-2-Sulfonamide
CID 10680096
(E)-4-(2-(thiophen-3-yl)vinyl)benzenesulfonamide
CID 50908699
(E)-3-(4-(methylsulfonyl)styryl)thiophene
CID 52949357
N-(2-phenylethyl)thiophene-2-sulfonamide
CID 765827
2-(Phenylsulfonyl)thiophene
CID 284324
3-(Phenylsulfonyl)thiophene
CID 519297
(E)-4-(2-(thiophen-2-yl)vinyl)benzenesulfonamide
CID 50908697
(E)-2-(4-(methylsulfonyl)styryl)thiophene
CID 50908698
4-(2-Phenylethylsulfanyl)benzenesulfonamide
CID 71719431
5-[(4-Chlorophenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819875

Frequently Asked Questions

What is the IUPAC name of 5-benzylsulfanylthiophene-2-sulfonamide?
The IUPAC name of 5-benzylsulfanylthiophene-2-sulfonamide (CID 134132835) is 5-benzylsulfanylthiophene-2-sulfonamide.
What is the SMILES notation for 5-benzylsulfanylthiophene-2-sulfonamide?
The canonical SMILES for 5-benzylsulfanylthiophene-2-sulfonamide is NS(=O)(=O)c1ccc(SCc2ccccc2)s1.
What is the InChIKey of 5-benzylsulfanylthiophene-2-sulfonamide?
The InChIKey is VLFJWOLRJPMSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2S3/c12-17(13,14)11-7-6-10(16-11)15-8-9-4-2-1-3-5-9/h1-7H,8H2,(H2,12,13,14).
What are the key properties of 5-benzylsulfanylthiophene-2-sulfonamide?
5-benzylsulfanylthiophene-2-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzylsulfanylthiophene-2-sulfonamide is sourced from PubChem (CID 134132835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).