1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride

C17H16FNO3S — CID 168714742

IUPAC1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16FNO3S/c18-23(21,22)15-11-16(20)19(12-15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2
InChIKeyUNJLSSRBNPDMSI-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.68
Rot. Bonds4

About 1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride

1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride (PubChem CID 168714742) has the molecular formula C17H16FNO3S and a molecular weight of 333.38 g/mol. Its IUPAC name is 1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride
PubChem CID168714742
Molecular FormulaC17H16FNO3S
Molecular Weight333.38 g/mol
Exact Mass333.08
IUPAC Name1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride
SMILESO=C1CC(S(=O)(=O)F)CN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H16FNO3S/c18-23(21,22)15-11-16(20)19(12-15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2
InChIKeyUNJLSSRBNPDMSI-UHFFFAOYSA-N
XLogP2.68
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzhydryl-5-oxopyrrolidine-3-sulfonamide
CID 168718070
5-oxo-1-(1-phenyl-2-pyrazol-1-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168713349
2-(3-bromophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713291
(3S)-1-benzhydryl-5-oxopyrrolidine-3-carboxylic acid
CID 735290
1-[1-(4-hydroxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713150
5-oxo-1-(1-pyridin-4-ylethyl)pyrrolidine-3-sulfonyl fluoride
CID 168713177
2-(4-chlorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)acetic acid
CID 168713285
(2R)-3-(2-fluorophenyl)-2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)propanoic acid
CID 168713423
1-[1-(3,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713162
1-[(1S)-1-(4-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713263
1-[1-(3-ethoxyphenyl)ethyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713228
2-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168713247

Frequently Asked Questions

What is the IUPAC name of 1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride?
The IUPAC name of 1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride (CID 168714742) is 1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride?
The canonical SMILES for 1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride is O=C1CC(S(=O)(=O)F)CN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride?
The InChIKey is UNJLSSRBNPDMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3S/c18-23(21,22)15-11-16(20)19(12-15)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,15,17H,11-12H2.
What are the key properties of 1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride?
1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride has a molecular weight of 333.38 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydryl-5-oxopyrrolidine-3-sulfonyl fluoride is sourced from PubChem (CID 168714742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).