2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride

C11H14FNO4S2 — CID 175852123

IUPAC2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1CS(=O)(=O)N1CCCC1
InChIInChI=1S/C11H14FNO4S2/c12-19(16,17)11-6-2-1-5-10(11)9-18(14,15)13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2
InChIKeyIKPAUDVMSANXSG-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.27
Rot. Bonds4

About 2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride

2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride (PubChem CID 175852123) has the molecular formula C11H14FNO4S2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride
PubChem CID175852123
Molecular FormulaC11H14FNO4S2
Molecular Weight307.37 g/mol
Exact Mass307.03
IUPAC Name2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccccc1CS(=O)(=O)N1CCCC1
InChIInChI=1S/C11H14FNO4S2/c12-19(16,17)11-6-2-1-5-10(11)9-18(14,15)13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2
InChIKeyIKPAUDVMSANXSG-UHFFFAOYSA-N
XLogP1.27
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-chlorophenyl)methylsulfonyl]-4-cyclobutyl-1,4-diazepane
CID 131702233
1-[(2-chlorophenyl)methylsulfonyl]piperidin-4-amine
CID 119959043
1-[(2-chlorophenyl)methylsulfonyl]-4,4-dimethylpiperidine
CID 110738679
1-[2-(nitrosomethyl)phenyl]sulfonylpyrrolidine
CID 123690881
2-methyl-2-[[2-(piperidin-1-ylsulfonylmethyl)phenyl]methylcarbamoylamino]propanoic acid
CID 99782295
1-[4-[(2-chlorophenyl)methylsulfonyl]-1,4-diazepan-1-yl]-2-methylpropan-1-one
CID 110796931
1-[4-[(2-chlorophenyl)methylsulfonyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796532
4,4-difluoro-N-[[2-(pyrrolidin-1-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120955206
4-[4-[(2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-6-piperidin-1-ylpyrimidine
CID 122343153
3-(4-chlorophenyl)-1-[(2-fluorophenyl)methylsulfonyl]azepane
CID 121146847
1-(2,2-dimethylpropyl)-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110290772
1-[(2-chlorophenyl)methylsulfonyl]-N,N-dimethylpiperidin-4-amine
CID 110868589

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride?
The IUPAC name of 2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride (CID 175852123) is 2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride.
What is the SMILES notation for 2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride?
The canonical SMILES for 2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride is O=S(=O)(F)c1ccccc1CS(=O)(=O)N1CCCC1.
What is the InChIKey of 2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride?
The InChIKey is IKPAUDVMSANXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S2/c12-19(16,17)11-6-2-1-5-10(11)9-18(14,15)13-7-3-4-8-13/h1-2,5-6H,3-4,7-9H2.
What are the key properties of 2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride?
2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride has a molecular weight of 307.37 g/mol, XLogP of 1.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-1-ylsulfonylmethyl)benzenesulfonyl fluoride is sourced from PubChem (CID 175852123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).