5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide

C14H17NO2S3 — CID 12736852

IUPAC5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C14H17NO2S3/c1-14(2,3)10-4-6-11(7-5-10)18-12-8-9-13(19-12)20(15,16)17/h4-9H,1-3H3,(H2,15,16,17)
InChIKeyUNCWEIZEVBZDBF-UHFFFAOYSA-N
MW327.50 g/mol
LogP3.84
Rot. Bonds3

About 5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide

5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide (PubChem CID 12736852) has the molecular formula C14H17NO2S3 and a molecular weight of 327.50 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide
PubChem CID12736852
Molecular FormulaC14H17NO2S3
Molecular Weight327.50 g/mol
Exact Mass327.04
IUPAC Name5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide
SMILESCC(C)(C)c1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1
InChIInChI=1S/C14H17NO2S3/c1-14(2,3)10-4-6-11(7-5-10)18-12-8-9-13(19-12)20(15,16)17/h4-9H,1-3H3,(H2,15,16,17)
InChIKeyUNCWEIZEVBZDBF-UHFFFAOYSA-N
XLogP3.84
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.50
LogP ≤ 53.84
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
4-[(4-Methylphenyl)sulfonyl]-2-thiophenesulfonamide
CID 14642289
5-Benzylsulfanylthiophene-2-sulfonamide
CID 134132835
5-[(4-Methylphenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819873
5-[(4-Fluorophenyl)methylsulfanyl]thiophene-2-sulfonamide
CID 132819876
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
4-[4-(4-Fluorophenyl)thien-3-yl]benzenesulfonamide
CID 12088670

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide?
The IUPAC name of 5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide (CID 12736852) is 5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide.
What is the SMILES notation for 5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide?
The canonical SMILES for 5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide is CC(C)(C)c1ccc(Sc2ccc(S(N)(=O)=O)s2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide?
The InChIKey is UNCWEIZEVBZDBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2S3/c1-14(2,3)10-4-6-11(7-5-10)18-12-8-9-13(19-12)20(15,16)17/h4-9H,1-3H3,(H2,15,16,17).
What are the key properties of 5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide?
5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide has a molecular weight of 327.50 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)sulfanylthiophene-2-sulfonamide is sourced from PubChem (CID 12736852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).