3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide

C23H27FN2O3S — CID 138997785

IUPAC3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide
SMILESCc1cccc(C2(C(=O)N3CCCC(NS(=O)(=O)c4cccc(F)c4)C3)CCC2)c1
InChIInChI=1S/C23H27FN2O3S/c1-17-6-2-7-18(14-17)23(11-5-12-23)22(27)26-13-4-9-20(16-26)25-30(28,29)21-10-3-8-19(24)15-21/h2-3,6-8,10,14-15,20,25H,4-5,9,11-13,16H2,1H3
InChIKeyWORDKBFPGWNZMU-UHFFFAOYSA-N
MW430.55 g/mol
LogP3.53
Rot. Bonds5

About 3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide

3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide (PubChem CID 138997785) has the molecular formula C23H27FN2O3S and a molecular weight of 430.55 g/mol. Its IUPAC name is 3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide
PubChem CID138997785
Molecular FormulaC23H27FN2O3S
Molecular Weight430.55 g/mol
Exact Mass430.17
IUPAC Name3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide
SMILESCc1cccc(C2(C(=O)N3CCCC(NS(=O)(=O)c4cccc(F)c4)C3)CCC2)c1
InChIInChI=1S/C23H27FN2O3S/c1-17-6-2-7-18(14-17)23(11-5-12-23)22(27)26-13-4-9-20(16-26)25-30(28,29)21-10-3-8-19(24)15-21/h2-3,6-8,10,14-15,20,25H,4-5,9,11-13,16H2,1H3
InChIKeyWORDKBFPGWNZMU-UHFFFAOYSA-N
XLogP3.53
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide with MolForge

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Related Compounds

[1-(3-fluorophenyl)cyclopentyl]-[3-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119487413
N-[(3S)-1-(cyclobutanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 95304010
(3-hydroxypiperidin-1-yl)-[1-(3-methylphenyl)cyclobutyl]methanone
CID 43416776
3-fluoro-N-(1-hexa-2,4-dienoylpiperidin-3-yl)benzenesulfonamide
CID 72687865
3-fluoro-N-(1-methylsulfonylpiperidin-3-yl)benzenesulfonamide
CID 47958214
2-[3-[(3-fluorophenyl)sulfonylamino]piperidin-1-yl]propanoic acid
CID 119921741
N-[1-[3-(4-chlorophenyl)prop-2-enoyl]piperidin-3-yl]-3-fluorobenzenesulfonamide
CID 72687849
N-[1-[1-(4-fluorophenyl)cyclopropanecarbonyl]piperidin-3-yl]methanesulfonamide
CID 56812467
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-[1-(3-methylphenyl)cyclobutyl]methanone
CID 79410950
ethyl 1-[1-(3-fluorophenyl)cyclopentanecarbonyl]piperidine-3-carboxylate
CID 55345276
N-[1-(3-aminocyclohexanecarbonyl)piperidin-3-yl]-3-fluorobenzenesulfonamide;hydrochloride
CID 119774617
3-fluoro-N-[1-(2-methyl-3-phenylsulfanylpropanoyl)piperidin-3-yl]benzenesulfonamide
CID 86935365

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide (CID 138997785) is 3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide is Cc1cccc(C2(C(=O)N3CCCC(NS(=O)(=O)c4cccc(F)c4)C3)CCC2)c1.
What is the InChIKey of 3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide?
The InChIKey is WORDKBFPGWNZMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN2O3S/c1-17-6-2-7-18(14-17)23(11-5-12-23)22(27)26-13-4-9-20(16-26)25-30(28,29)21-10-3-8-19(24)15-21/h2-3,6-8,10,14-15,20,25H,4-5,9,11-13,16H2,1H3.
What are the key properties of 3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide?
3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide has a molecular weight of 430.55 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-[1-(3-methylphenyl)cyclobutanecarbonyl]piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 138997785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).