N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide

C17H17FN2O5S2 — CID 90593215

IUPACN-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C17H17FN2O5S2/c1-12(21)19-14-4-8-16(9-5-14)27(24,25)20-10-17(11-20)26(22,23)15-6-2-13(18)3-7-15/h2-9,17H,10-11H2,1H3,(H,19,21)
InChIKeyQHUBFLUODUPHSQ-UHFFFAOYSA-N
MW412.46 g/mol
LogP1.63
Rot. Bonds5

About N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide

N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 90593215) has the molecular formula C17H17FN2O5S2 and a molecular weight of 412.46 g/mol. Its IUPAC name is N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide
PubChem CID90593215
Molecular FormulaC17H17FN2O5S2
Molecular Weight412.46 g/mol
Exact Mass412.06
IUPAC NameN-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)cc1
InChIInChI=1S/C17H17FN2O5S2/c1-12(21)19-14-4-8-16(9-5-14)27(24,25)20-10-17(11-20)26(22,23)15-6-2-13(18)3-7-15/h2-9,17H,10-11H2,1H3,(H,19,21)
InChIKeyQHUBFLUODUPHSQ-UHFFFAOYSA-N
XLogP1.63
TPSA100.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[4-(4-fluorophenyl)piperazin-4-ium-1-yl]sulfonylphenyl]acetamide
CID 4150837
1-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]ethanone
CID 71809175
N-[4-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 2902107
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(4-fluorophenyl)benzamide
CID 4113027
4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-(4-fluorophenyl)benzamide
CID 2634767
N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3080572
N-(4-acetamidophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 3675075
N-[4-(3-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 22273336
N-[4-[[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]sulfonyl]phenyl]-4-fluorobenzamide;hydrochloride
CID 120665514
3-(4-fluorophenyl)sulfonyl-1-(2,3,5,6-tetramethylphenyl)sulfonylazetidine
CID 90593214
N-[4-(4-bromo-3-methylpiperidin-1-yl)sulfonylphenyl]acetamide
CID 114683689
1-(3-fluoro-4-methoxyphenyl)sulfonyl-3-(4-fluorophenyl)sulfonylazetidine
CID 90593207

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide (CID 90593215) is N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N2CC(S(=O)(=O)c3ccc(F)cc3)C2)cc1.
What is the InChIKey of N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is QHUBFLUODUPHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2O5S2/c1-12(21)19-14-4-8-16(9-5-14)27(24,25)20-10-17(11-20)26(22,23)15-6-2-13(18)3-7-15/h2-9,17H,10-11H2,1H3,(H,19,21).
What are the key properties of N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 412.46 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-fluorophenyl)sulfonylazetidin-1-yl]sulfonylphenyl]acetamide is sourced from PubChem (CID 90593215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).