N-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide

C22H24FNO3S — CID 74627737

IUPACN-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide
SMILESC=C(CN(CC1(C)CC(=O)C1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO3S/c1-16-4-10-21(11-5-16)28(26,27)24(15-22(3)12-20(25)13-22)14-17(2)18-6-8-19(23)9-7-18/h4-11H,2,12-15H2,1,3H3
InChIKeyYUJCAQWHRFYZNB-UHFFFAOYSA-N
MW401.50 g/mol
LogP4.21
Rot. Bonds7

About N-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide

N-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide (PubChem CID 74627737) has the molecular formula C22H24FNO3S and a molecular weight of 401.50 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide
PubChem CID74627737
Molecular FormulaC22H24FNO3S
Molecular Weight401.50 g/mol
Exact Mass401.15
IUPAC NameN-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide
SMILESC=C(CN(CC1(C)CC(=O)C1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1
InChIInChI=1S/C22H24FNO3S/c1-16-4-10-21(11-5-16)28(26,27)24(15-22(3)12-20(25)13-22)14-17(2)18-6-8-19(23)9-7-18/h4-11H,2,12-15H2,1,3H3
InChIKeyYUJCAQWHRFYZNB-UHFFFAOYSA-N
XLogP4.21
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.50
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide with MolForge

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Related Compounds

4-(4-Fluoro-phenyl)-1-(toluene-4-sulfonyl)-1,2,3,6-tetrahydro-pyridine
CID 858337
1-[2-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 11639374
1-[2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 51359004
1-(4-Fluorophenyl)-5-methyl-3-tosyl-3-azabicyclo[3.3.1]nonan-7-one
CID 74627751
3-Fluoro-1-(4-methylphenyl)sulfonyl-4-phenyl-2,5-dihydropyrrole
CID 135020021
1-(4-Methylphenyl)sulfonylpiperidine-4-carbonyl fluoride
CID 177851599
5-(Tert-butyl)-4-methyl-1-tosyl-1,6-dihydropyridin-3(2H)-one
CID 71270310
2-Tosyl-2-azaspiro[3.3]heptan-6-one
CID 118703371
1-(3-fluoro-4-methylphenyl)sulfonyl-4-phenyl-3,6-dihydro-2H-pyridine
CID 2738346
1-[(2S)-2-(2-fluorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-5-yl]ethanone
CID 155550678
1-[1-(4-Methylphenyl)sulfonyl-4-phenylpiperidin-4-yl]ethanone
CID 20644460
1-[1-(3,4-Difluorophenyl)sulfonylpiperidin-4-yl]-2,2-dimethylpropan-1-one
CID 58728783

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide (CID 74627737) is N-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide is C=C(CN(CC1(C)CC(=O)C1)S(=O)(=O)c1ccc(C)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide?
The InChIKey is YUJCAQWHRFYZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FNO3S/c1-16-4-10-21(11-5-16)28(26,27)24(15-22(3)12-20(25)13-22)14-17(2)18-6-8-19(23)9-7-18/h4-11H,2,12-15H2,1,3H3.
What are the key properties of N-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide?
N-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide has a molecular weight of 401.50 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)prop-2-enyl]-4-methyl-N-[(1-methyl-3-oxocyclobutyl)methyl]benzenesulfonamide is sourced from PubChem (CID 74627737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).