1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

C16H15FN2O3S — CID 168715672

IUPAC1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccccc1Nc1ccccc1
InChIInChI=1S/C16H15FN2O3S/c17-23(21,22)13-10-16(20)19(11-13)15-9-5-4-8-14(15)18-12-6-2-1-3-7-12/h1-9,13,18H,10-11H2
InChIKeyIHOHTVBHVYMFPD-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.83
Rot. Bonds4

About 1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride

1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168715672) has the molecular formula C16H15FN2O3S and a molecular weight of 334.37 g/mol. Its IUPAC name is 1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168715672
Molecular FormulaC16H15FN2O3S
Molecular Weight334.37 g/mol
Exact Mass334.08
IUPAC Name1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1c1ccccc1Nc1ccccc1
InChIInChI=1S/C16H15FN2O3S/c17-23(21,22)13-10-16(20)19(11-13)15-9-5-4-8-14(15)18-12-6-2-1-3-7-12/h1-9,13,18H,10-11H2
InChIKeyIHOHTVBHVYMFPD-UHFFFAOYSA-N
XLogP2.83
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(cyanomethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715818
5-oxo-1-(4-phenylphenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715472
1-(2-ethoxyphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713791
1-(5-bromonaphthalen-1-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715845
1-(2-bromo-3-chlorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716060
1-[2-(2-fluoroethoxy)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715679
1-[2-methyl-3-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714471
1-(3-methoxy-2-methylphenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714278
1-[3-chloro-2-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716062
5-oxo-1-(2,4,5-trichlorophenyl)pyrrolidine-3-sulfonyl fluoride
CID 168715174
1-(3-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168716069
1-(3,4-dichloro-2-fluorophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168715214

Frequently Asked Questions

What is the IUPAC name of 1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168715672) is 1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1c1ccccc1Nc1ccccc1.
What is the InChIKey of 1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is IHOHTVBHVYMFPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O3S/c17-23(21,22)13-10-16(20)19(11-13)15-9-5-4-8-14(15)18-12-6-2-1-3-7-12/h1-9,13,18H,10-11H2.
What are the key properties of 1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride?
1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 334.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-anilinophenyl)-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168715672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).