5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide

C12H10F3NO2S3 — CID 132819874

IUPAC5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(SCc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C12H10F3NO2S3/c13-12(14,15)9-3-1-8(2-4-9)7-19-10-5-6-11(20-10)21(16,17)18/h1-6H,7H2,(H2,16,17,18)
InChIKeyXRXMPNGFKACJMA-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.71
Rot. Bonds4

About 5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide

5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide (PubChem CID 132819874) has the molecular formula C12H10F3NO2S3 and a molecular weight of 353.41 g/mol. Its IUPAC name is 5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide
PubChem CID132819874
Molecular FormulaC12H10F3NO2S3
Molecular Weight353.41 g/mol
Exact Mass352.98
IUPAC Name5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(SCc2ccc(C(F)(F)F)cc2)s1
InChIInChI=1S/C12H10F3NO2S3/c13-12(14,15)9-3-1-8(2-4-9)7-19-10-5-6-11(20-10)21(16,17)18/h1-6H,7H2,(H2,16,17,18)
InChIKeyXRXMPNGFKACJMA-UHFFFAOYSA-N
XLogP3.71
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-4-(2-(thiophen-3-yl)vinyl)benzenesulfonamide
CID 50908699
(E)-3-(4-(methylsulfonyl)styryl)thiophene
CID 52949357
(E)-4-(2-(thiophen-2-yl)vinyl)benzenesulfonamide
CID 50908697
(E)-2-(4-(methylsulfonyl)styryl)thiophene
CID 50908698
5-Benzylsulfanylthiophene-2-sulfonamide
CID 134132835
4-[(4-Methylphenyl)sulfonyl]-2-thiophenesulfonamide
CID 14642289
5-[(4-Methylphenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819873
5-[(4-Fluorophenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819876
5-[(4-Cyanophenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 134137058
5-[(3-Phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 134147656
5-[(2-Phenylphenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 134151324
3-(4-(Aminosulfonyl)phenyl)-2-(4-fluorophenyl)thiophene
CID 9927613

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide (CID 132819874) is 5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(SCc2ccc(C(F)(F)F)cc2)s1.
What is the InChIKey of 5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide?
The InChIKey is XRXMPNGFKACJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2S3/c13-12(14,15)9-3-1-8(2-4-9)7-19-10-5-6-11(20-10)21(16,17)18/h1-6H,7H2,(H2,16,17,18).
What are the key properties of 5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide?
5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide has a molecular weight of 353.41 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]thiophene-2-sulfonamide is sourced from PubChem (CID 132819874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).