3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide

C15H19NO3S — CID 103838022

IUPAC3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC2(C3CC3)CC2)c1
InChIInChI=1S/C15H19NO3S/c1-11(17)12-3-2-4-14(9-12)20(18,19)16-10-15(7-8-15)13-5-6-13/h2-4,9,13,16H,5-8,10H2,1H3
InChIKeyFXCHWUJCZFHVDT-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.36
Rot. Bonds6

About 3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide

3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide (PubChem CID 103838022) has the molecular formula C15H19NO3S and a molecular weight of 293.39 g/mol. Its IUPAC name is 3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
PubChem CID103838022
Molecular FormulaC15H19NO3S
Molecular Weight293.39 g/mol
Exact Mass293.11
IUPAC Name3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
SMILESCC(=O)c1cccc(S(=O)(=O)NCC2(C3CC3)CC2)c1
InChIInChI=1S/C15H19NO3S/c1-11(17)12-3-2-4-14(9-12)20(18,19)16-10-15(7-8-15)13-5-6-13/h2-4,9,13,16H,5-8,10H2,1H3
InChIKeyFXCHWUJCZFHVDT-UHFFFAOYSA-N
XLogP2.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide
CID 113498468
3-acetyl-N-[(1-hydroxycyclohexyl)methyl]benzenesulfonamide
CID 65109388
3-acetyl-N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]benzenesulfonamide
CID 90499105
3-acetyl-N-[(2-methylthiolan-2-yl)methyl]benzenesulfonamide
CID 80527077
3-acetyl-N-[2-(methanesulfonamido)ethyl]benzenesulfonamide
CID 43420736
3-acetyl-N-(2-cyclohexyl-2-hydroxyethyl)benzenesulfonamide
CID 90498860
3-acetyl-N-(2-aminoethyl)benzenesulfonamide;hydrochloride
CID 119960312
3-acetyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501553
3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide
CID 115638669
3-acetyl-N-(2,2-dimethylcyclopropyl)benzenesulfonamide
CID 61234303
3-acetyl-N-(3,3-dimethyl-2-oxobutyl)benzenesulfonamide
CID 64994049
3-acetyl-N-(3-oxo-3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 78774480

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide (CID 103838022) is 3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide is CC(=O)c1cccc(S(=O)(=O)NCC2(C3CC3)CC2)c1.
What is the InChIKey of 3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide?
The InChIKey is FXCHWUJCZFHVDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3S/c1-11(17)12-3-2-4-14(9-12)20(18,19)16-10-15(7-8-15)13-5-6-13/h2-4,9,13,16H,5-8,10H2,1H3.
What are the key properties of 3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide?
3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[(1-cyclopropylcyclopropyl)methyl]benzenesulfonamide is sourced from PubChem (CID 103838022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).