N-(3-acetylphenyl)thiophene-2-sulfonamide

C12H11NO3S2 — CID 769056

IUPACN-(3-acetylphenyl)thiophene-2-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C12H11NO3S2/c1-9(14)10-4-2-5-11(8-10)13-18(15,16)12-6-3-7-17-12/h2-8,13H,1H3
InChIKeyXDGLNKGXUBBIMP-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.75
Rot. Bonds4

About N-(3-acetylphenyl)thiophene-2-sulfonamide

N-(3-acetylphenyl)thiophene-2-sulfonamide (PubChem CID 769056) has the molecular formula C12H11NO3S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(3-acetylphenyl)thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)thiophene-2-sulfonamide
PubChem CID769056
Molecular FormulaC12H11NO3S2
Molecular Weight281.36 g/mol
Exact Mass281.02
IUPAC NameN-(3-acetylphenyl)thiophene-2-sulfonamide
SMILESCC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1
InChIInChI=1S/C12H11NO3S2/c1-9(14)10-4-2-5-11(8-10)13-18(15,16)12-6-3-7-17-12/h2-8,13H,1H3
InChIKeyXDGLNKGXUBBIMP-UHFFFAOYSA-N
XLogP2.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)thiophene-2-sulfonamide?
The IUPAC name of N-(3-acetylphenyl)thiophene-2-sulfonamide (CID 769056) is N-(3-acetylphenyl)thiophene-2-sulfonamide.
What is the SMILES notation for N-(3-acetylphenyl)thiophene-2-sulfonamide?
The canonical SMILES for N-(3-acetylphenyl)thiophene-2-sulfonamide is CC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1.
What is the InChIKey of N-(3-acetylphenyl)thiophene-2-sulfonamide?
The InChIKey is XDGLNKGXUBBIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3S2/c1-9(14)10-4-2-5-11(8-10)13-18(15,16)12-6-3-7-17-12/h2-8,13H,1H3.
What are the key properties of N-(3-acetylphenyl)thiophene-2-sulfonamide?
N-(3-acetylphenyl)thiophene-2-sulfonamide has a molecular weight of 281.36 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)thiophene-2-sulfonamide is sourced from PubChem (CID 769056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).