4-acetyl-N-(thiolan-3-yl)benzenesulfonamide

C12H15NO3S2 — CID 103697977

IUPAC4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCSC2)cc1
InChIInChI=1S/C12H15NO3S2/c1-9(14)10-2-4-12(5-3-10)18(15,16)13-11-6-7-17-8-11/h2-5,11,13H,6-8H2,1H3
InChIKeyCRQUBUUUWVRTDF-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.67
Rot. Bonds4

About 4-acetyl-N-(thiolan-3-yl)benzenesulfonamide

4-acetyl-N-(thiolan-3-yl)benzenesulfonamide (PubChem CID 103697977) has the molecular formula C12H15NO3S2 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-acetyl-N-(thiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
PubChem CID103697977
Molecular FormulaC12H15NO3S2
Molecular Weight285.39 g/mol
Exact Mass285.05
IUPAC Name4-acetyl-N-(thiolan-3-yl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NC2CCSC2)cc1
InChIInChI=1S/C12H15NO3S2/c1-9(14)10-2-4-12(5-3-10)18(15,16)13-11-6-7-17-8-11/h2-5,11,13H,6-8H2,1H3
InChIKeyCRQUBUUUWVRTDF-UHFFFAOYSA-N
XLogP1.67
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-N-(thiolan-3-yl)benzenesulfonamide
CID 103063928
4-(4-acetylphenyl)-N-cyclopentylbenzenesulfonamide
CID 110454111
4-acetyl-N-(oxolan-3-yl)benzenesulfonamide
CID 80712927
4-acetyl-N-(4-ethylcyclohexyl)benzenesulfonamide
CID 61059370
4-acetyl-N-(3-hydroxycyclohexyl)benzenesulfonamide
CID 61068578
N-[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]-4-acetylbenzenesulfonamide
CID 124741486
4-acetyl-N-(2,2-dimethyloxan-4-yl)benzenesulfonamide
CID 115563563
4-[2-(propylamino)ethyl]-N-(thiolan-3-yl)benzenesulfonamide
CID 106086339
4-acetyl-N-(1-methyl-6-oxopiperidin-3-yl)benzenesulfonamide
CID 64669034
N-(thian-3-yl)benzenesulfonamide
CID 115675274
4-acetyl-N-[(3R)-1-cyclopentylpyrrolidin-3-yl]benzenesulfonamide
CID 95318002
4-acetyl-N-[(1S)-1-cyclopropylethyl]benzenesulfonamide
CID 8816988

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(thiolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(thiolan-3-yl)benzenesulfonamide (CID 103697977) is 4-acetyl-N-(thiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(thiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(thiolan-3-yl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NC2CCSC2)cc1.
What is the InChIKey of 4-acetyl-N-(thiolan-3-yl)benzenesulfonamide?
The InChIKey is CRQUBUUUWVRTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3S2/c1-9(14)10-2-4-12(5-3-10)18(15,16)13-11-6-7-17-8-11/h2-5,11,13H,6-8H2,1H3.
What are the key properties of 4-acetyl-N-(thiolan-3-yl)benzenesulfonamide?
4-acetyl-N-(thiolan-3-yl)benzenesulfonamide has a molecular weight of 285.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(thiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 103697977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).