5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide

C9H13NO3S2 — CID 14909926

IUPAC5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide
SMILESCC(C)(C)C(=O)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C9H13NO3S2/c1-9(2,3)8(11)6-4-5-7(14-6)15(10,12)13/h4-5H,1-3H3,(H2,10,12,13)
InChIKeyDIOPDLOUTAQAHN-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.62
Rot. Bonds2

About 5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide

5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide (PubChem CID 14909926) has the molecular formula C9H13NO3S2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide
PubChem CID14909926
Molecular FormulaC9H13NO3S2
Molecular Weight247.34 g/mol
Exact Mass247.03
IUPAC Name5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide
SMILESCC(C)(C)C(=O)c1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C9H13NO3S2/c1-9(2,3)8(11)6-4-5-7(14-6)15(10,12)13/h4-5H,1-3H3,(H2,10,12,13)
InChIKeyDIOPDLOUTAQAHN-UHFFFAOYSA-N
XLogP1.62
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide?
The IUPAC name of 5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide (CID 14909926) is 5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide?
The canonical SMILES for 5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide is CC(C)(C)C(=O)c1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide?
The InChIKey is DIOPDLOUTAQAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S2/c1-9(2,3)8(11)6-4-5-7(14-6)15(10,12)13/h4-5H,1-3H3,(H2,10,12,13).
What are the key properties of 5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide?
5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide has a molecular weight of 247.34 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropanoyl)thiophene-2-sulfonamide is sourced from PubChem (CID 14909926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).