lithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride

C11H13FLiNO4S — CID 175429847

IUPAClithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride
SMILESCc1cccc(S(=O)(=O)N2CC(C(=O)OF)C2)c1.[H-].[Li+]
InChIInChI=1S/C11H12FNO4S.Li.H/c1-8-3-2-4-10(5-8)18(15,16)13-6-9(7-13)11(14)17-12;;/h2-5,9H,6-7H2,1H3;;/q;+1;-1
InChIKeySFHBLZORQGKHBH-UHFFFAOYSA-N
MW281.23 g/mol
LogP-1.84
Rot. Bonds3

About lithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride

lithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride (PubChem CID 175429847) has the molecular formula C11H13FLiNO4S and a molecular weight of 281.23 g/mol. Its IUPAC name is lithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride.

Molecular Properties

Compound Namelithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride
PubChem CID175429847
Molecular FormulaC11H13FLiNO4S
Molecular Weight281.23 g/mol
Exact Mass281.07
IUPAC Namelithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride
SMILESCc1cccc(S(=O)(=O)N2CC(C(=O)OF)C2)c1.[H-].[Li+]
InChIInChI=1S/C11H12FNO4S.Li.H/c1-8-3-2-4-10(5-8)18(15,16)13-6-9(7-13)11(14)17-12;;/h2-5,9H,6-7H2,1H3;;/q;+1;-1
InChIKeySFHBLZORQGKHBH-UHFFFAOYSA-N
XLogP-1.84
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.23
LogP ≤ 5-1.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-(3-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47320003
methyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 43404909
2-[1-(3-methylphenyl)sulfonylazetidin-3-yl]acetic acid
CID 64618229
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
ethyl 1-(3-methylphenyl)sulfonylpiperidine-4-carboxylate
CID 3816303
1,2,6-trimethyl-4-(3-methylphenyl)sulfonylpiperazine
CID 110662414
(3S,5S)-3,5-dimethyl-1-(3-methylphenyl)sulfonylpiperazine
CID 42325544
(3R)-1-(3-methylphenyl)sulfonylpyrrolidin-3-ol
CID 66291650
[1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone
CID 110394558
(3-methylphenyl) 3-(3,5-dimethylpiperidin-1-yl)sulfonylbenzoate
CID 16548581
[1-(3-methylphenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62370440
[1-(3-methylphenyl)sulfonylpiperidin-4-yl]-phenylmethanone
CID 110394034

Frequently Asked Questions

What is the IUPAC name of lithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride?
The IUPAC name of lithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride (CID 175429847) is lithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride.
What is the SMILES notation for lithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride?
The canonical SMILES for lithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride is Cc1cccc(S(=O)(=O)N2CC(C(=O)OF)C2)c1.[H-].[Li+].
What is the InChIKey of lithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride?
The InChIKey is SFHBLZORQGKHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO4S.Li.H/c1-8-3-2-4-10(5-8)18(15,16)13-6-9(7-13)11(14)17-12;;/h2-5,9H,6-7H2,1H3;;/q;+1;-1.
What are the key properties of lithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride?
lithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride has a molecular weight of 281.23 g/mol, XLogP of -1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;fluoro 1-(3-methylphenyl)sulfonylazetidine-3-carboxylate;hydride is sourced from PubChem (CID 175429847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).