3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide

C13H10N2O3S2 — CID 61252023

IUPAC3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2sccc2C#N)c1
InChIInChI=1S/C13H10N2O3S2/c1-9(16)10-3-2-4-12(7-10)20(17,18)15-13-11(8-14)5-6-19-13/h2-7,15H,1H3
InChIKeyJPZCVZALOHDMOB-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.62
Rot. Bonds4

About 3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide

3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide (PubChem CID 61252023) has the molecular formula C13H10N2O3S2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide
PubChem CID61252023
Molecular FormulaC13H10N2O3S2
Molecular Weight306.37 g/mol
Exact Mass306.01
IUPAC Name3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)Nc2sccc2C#N)c1
InChIInChI=1S/C13H10N2O3S2/c1-9(16)10-3-2-4-12(7-10)20(17,18)15-13-11(8-14)5-6-19-13/h2-7,15H,1H3
InChIKeyJPZCVZALOHDMOB-UHFFFAOYSA-N
XLogP2.62
TPSA87.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(3-cyanothiophen-2-yl)-4-fluorobenzenesulfonamide
CID 61107621
3-acetyl-N-(4-sulfamoylphenyl)benzenesulfonamide
CID 26951365
3-acetyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 62944136
3-[(3-cyanothiophen-2-yl)sulfamoyl]-4-methylthiophene-2-carboxylic acid
CID 102747957
3-acetyl-N-(3-ethylpentan-3-yl)benzenesulfonamide
CID 65042547
(2R)-2-[(3-acetylphenyl)sulfonylamino]propanoic acid
CID 29049479
3-acetyl-N-(2,3-difluorophenyl)benzenesulfonamide
CID 51089499
5-bromo-N-(3-cyanothiophen-2-yl)-2-methylbenzenesulfonamide
CID 61217111
3-acetyl-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 60675322
3-acetyl-N-[(2S)-2-cyano-3-methylbutan-2-yl]benzenesulfonamide
CID 8778291
3-acetyl-N-(4-amino-3-chlorophenyl)benzenesulfonamide
CID 43604435
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide?
The IUPAC name of 3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide (CID 61252023) is 3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)Nc2sccc2C#N)c1.
What is the InChIKey of 3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide?
The InChIKey is JPZCVZALOHDMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S2/c1-9(16)10-3-2-4-12(7-10)20(17,18)15-13-11(8-14)5-6-19-13/h2-7,15H,1H3.
What are the key properties of 3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide?
3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide has a molecular weight of 306.37 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-(3-cyanothiophen-2-yl)benzenesulfonamide is sourced from PubChem (CID 61252023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).