5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide

C10H8FNO4S3 — CID 12736887

IUPAC5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C10H8FNO4S3/c11-7-1-3-8(4-2-7)18(13,14)9-5-6-10(17-9)19(12,15)16/h1-6H,(H2,12,15,16)
InChIKeyGLPYFCSHZPUNQV-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.37
Rot. Bonds3

About 5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide

5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide (PubChem CID 12736887) has the molecular formula C10H8FNO4S3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide
PubChem CID12736887
Molecular FormulaC10H8FNO4S3
Molecular Weight321.38 g/mol
Exact Mass320.96
IUPAC Name5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(F)cc2)s1
InChIInChI=1S/C10H8FNO4S3/c11-7-1-3-8(4-2-7)18(13,14)9-5-6-10(17-9)19(12,15)16/h1-6H,(H2,12,15,16)
InChIKeyGLPYFCSHZPUNQV-UHFFFAOYSA-N
XLogP1.37
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(Phenylsulfonyl)thiophene
CID 284324
3-(Phenylsulfonyl)thiophene
CID 519297
5-Benzylsulfanylthiophene-2-sulfonamide
CID 134132835
Nsc2734
CID 220260
5-Methylthiophene-2-sulfonamide
CID 600930
4-(Benzenesulfonyl)thiophene-2-sulfonyl chloride
CID 625574
5-(Phenylsulfonyl)thiophene-2-Sulfonamide
CID 10828282
5-[(4-Fluorophenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819876
5-(Phenylsulfonyl)-2-thiophenesulfonyl chloride
CID 580877
N-[2-(phenylsulfanyl)ethyl]thiophene-2-sulfonamide
CID 2894259
5-(Phenylthio)thiophene-2-sulfonamide
CID 2778824
4-Chloro-5-(phenylthio)thiophene-2-sulfonamide
CID 12736848

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide?
The IUPAC name of 5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide (CID 12736887) is 5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide?
The canonical SMILES for 5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide is NS(=O)(=O)c1ccc(S(=O)(=O)c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide?
The InChIKey is GLPYFCSHZPUNQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO4S3/c11-7-1-3-8(4-2-7)18(13,14)9-5-6-10(17-9)19(12,15)16/h1-6H,(H2,12,15,16).
What are the key properties of 5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide?
5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide has a molecular weight of 321.38 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)sulfonylthiophene-2-sulfonamide is sourced from PubChem (CID 12736887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).