1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine

C10H13FN2O5S2 — CID 146049122

IUPAC1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine
SMILESNc1cc(S(=O)(=O)N2CCCC2)ccc1OS(=O)(=O)F
InChIInChI=1S/C10H13FN2O5S2/c11-20(16,17)18-10-4-3-8(7-9(10)12)19(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2
InChIKeyGPFOYGNTSRNQEJ-UHFFFAOYSA-N
MW324.36 g/mol
LogP0.65
Rot. Bonds4

About 1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine

1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine (PubChem CID 146049122) has the molecular formula C10H13FN2O5S2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine.

Molecular Properties

Compound Name1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine
PubChem CID146049122
Molecular FormulaC10H13FN2O5S2
Molecular Weight324.36 g/mol
Exact Mass324.02
IUPAC Name1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine
SMILESNc1cc(S(=O)(=O)N2CCCC2)ccc1OS(=O)(=O)F
InChIInChI=1S/C10H13FN2O5S2/c11-20(16,17)18-10-4-3-8(7-9(10)12)19(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2
InChIKeyGPFOYGNTSRNQEJ-UHFFFAOYSA-N
XLogP0.65
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-(2,2,2-trifluoroethoxy)aniline
CID 3688661
2-chloro-5-pyrrolidin-1-ylsulfonylaniline
CID 2963514
2-(2-methoxyphenoxy)-5-piperidin-1-ylsulfonylaniline
CID 3543051
5-(4,4-dimethylpiperidin-1-yl)sulfonyl-2-methoxyaniline
CID 62937387
5-(azepan-1-ylsulfonyl)-2-pyrrolidin-1-ylaniline
CID 28796027
5-(4-ethylpiperazin-1-yl)sulfonyl-2-methoxyaniline
CID 29040961
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylsulfonyl)-2-methoxyaniline
CID 115558795
1-(4-fluoro-3-methoxyphenyl)sulfonylazepane
CID 8721927
2-methoxy-5-pyrrolidin-1-ylsulfonylbenzoyl chloride
CID 20982775
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
2-methoxy-5-piperidin-1-ylsulfonylbenzoyl chloride
CID 20982776
1-(4-iodo-3-methoxyphenyl)sulfonylpyrrolidine
CID 19132660

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine?
The IUPAC name of 1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine (CID 146049122) is 1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine.
What is the SMILES notation for 1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine?
The canonical SMILES for 1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine is Nc1cc(S(=O)(=O)N2CCCC2)ccc1OS(=O)(=O)F.
What is the InChIKey of 1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine?
The InChIKey is GPFOYGNTSRNQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O5S2/c11-20(16,17)18-10-4-3-8(7-9(10)12)19(14,15)13-5-1-2-6-13/h3-4,7H,1-2,5-6,12H2.
What are the key properties of 1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine?
1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine has a molecular weight of 324.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-fluorosulfonyloxyphenyl)sulfonylpyrrolidine is sourced from PubChem (CID 146049122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).