[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine

C11H14ClFN2O2S — CID 55030275

IUPAC[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C11H14ClFN2O2S/c12-10-5-9(1-2-11(10)13)18(16,17)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2
InChIKeySZASDDVLVPYDQJ-UHFFFAOYSA-N
MW292.76 g/mol
LogP1.45
Rot. Bonds3

About [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine

[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine (PubChem CID 55030275) has the molecular formula C11H14ClFN2O2S and a molecular weight of 292.76 g/mol. Its IUPAC name is [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
PubChem CID55030275
Molecular FormulaC11H14ClFN2O2S
Molecular Weight292.76 g/mol
Exact Mass292.04
IUPAC Name[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
SMILESNCC1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1
InChIInChI=1S/C11H14ClFN2O2S/c12-10-5-9(1-2-11(10)13)18(16,17)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2
InChIKeySZASDDVLVPYDQJ-UHFFFAOYSA-N
XLogP1.45
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.76
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanol
CID 62372226
[1-(4-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971833
1-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]-N-methylmethanamine
CID 63264060
[1-(4-bromo-3-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 103828949
[1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971920
[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119971921
1-(3-chloro-4-fluorophenyl)sulfonyl-4-methylpiperidine
CID 697831
[1-(4-chloro-3-nitrophenyl)sulfonylpyrrolidin-3-yl]methanamine
CID 62061632
[1-(3,4,5-trifluorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972228
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
2-[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]triazole
CID 121178856
4-[[1-(3-chloro-4-fluorophenyl)sulfonylpiperidin-4-yl]methyl]morpholine
CID 60540053

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine (CID 55030275) is [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine is NCC1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)C1.
What is the InChIKey of [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
The InChIKey is SZASDDVLVPYDQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClFN2O2S/c12-10-5-9(1-2-11(10)13)18(16,17)15-4-3-8(6-14)7-15/h1-2,5,8H,3-4,6-7,14H2.
What are the key properties of [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine?
[1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine has a molecular weight of 292.76 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 55030275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).