N-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide

C18H15NO3S2 — CID 2809113

IUPACN-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide
SMILESCC(=O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15NO3S2/c1-13(20)18-16(12-17(23-18)14-8-4-2-5-9-14)19-24(21,22)15-10-6-3-7-11-15/h2-12,19H,1H3
InChIKeyJHGQDIKWHXKWJV-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.42
Rot. Bonds5

About N-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide

N-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide (PubChem CID 2809113) has the molecular formula C18H15NO3S2 and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide
PubChem CID2809113
Molecular FormulaC18H15NO3S2
Molecular Weight357.46 g/mol
Exact Mass357.05
IUPAC NameN-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide
SMILESCC(=O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H15NO3S2/c1-13(20)18-16(12-17(23-18)14-8-4-2-5-9-14)19-24(21,22)15-10-6-3-7-11-15/h2-12,19H,1H3
InChIKeyJHGQDIKWHXKWJV-UHFFFAOYSA-N
XLogP4.42
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide?
The IUPAC name of N-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide (CID 2809113) is N-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide?
The canonical SMILES for N-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide is CC(=O)c1sc(-c2ccccc2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide?
The InChIKey is JHGQDIKWHXKWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3S2/c1-13(20)18-16(12-17(23-18)14-8-4-2-5-9-14)19-24(21,22)15-10-6-3-7-11-15/h2-12,19H,1H3.
What are the key properties of N-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide?
N-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide has a molecular weight of 357.46 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetyl-5-phenylthiophen-3-yl)benzenesulfonamide is sourced from PubChem (CID 2809113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).