2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline

C13H19FN2O2S — CID 82844266

IUPAC2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline
SMILESCC(C)C1CCCN1S(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-9(2)13-4-3-7-16(13)19(17,18)10-5-6-12(15)11(14)8-10/h5-6,8-9,13H,3-4,7,15H2,1-2H3
InChIKeyFKCMVMYYNOIWOX-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.22
Rot. Bonds3

About 2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline

2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline (PubChem CID 82844266) has the molecular formula C13H19FN2O2S and a molecular weight of 286.37 g/mol. Its IUPAC name is 2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline
PubChem CID82844266
Molecular FormulaC13H19FN2O2S
Molecular Weight286.37 g/mol
Exact Mass286.12
IUPAC Name2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline
SMILESCC(C)C1CCCN1S(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C13H19FN2O2S/c1-9(2)13-4-3-7-16(13)19(17,18)10-5-6-12(15)11(14)8-10/h5-6,8-9,13H,3-4,7,15H2,1-2H3
InChIKeyFKCMVMYYNOIWOX-UHFFFAOYSA-N
XLogP2.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-propan-2-yl-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 138998214
4-(2-ethylazepan-1-yl)sulfonyl-2-fluoroaniline
CID 104688737
[2-chloro-3-fluoro-5-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]methanamine
CID 81452524
1-(3-chlorophenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 110728313
1-[1-(4-bromo-3-fluorophenyl)sulfonylpiperidin-2-yl]ethanamine;hydrochloride
CID 119965451
1-(3-chloro-4-methoxyphenyl)sulfonyl-2-propan-2-ylpyrrolidine
CID 47411048
2-fluoro-4-[2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]sulfonylaniline
CID 82845487
2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54882062
1-[1-[4-(difluoromethoxy)-3-fluorophenyl]sulfonylpiperidin-2-yl]ethanamine
CID 120999576
2,5-dimethyl-3-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline
CID 79888757
2-[4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylphenyl]ethanethioamide
CID 79203713
2-fluoro-4-(4-methoxypiperidin-1-yl)sulfonylaniline
CID 82844541

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline?
The IUPAC name of 2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline (CID 82844266) is 2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline?
The canonical SMILES for 2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline is CC(C)C1CCCN1S(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline?
The InChIKey is FKCMVMYYNOIWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2S/c1-9(2)13-4-3-7-16(13)19(17,18)10-5-6-12(15)11(14)8-10/h5-6,8-9,13H,3-4,7,15H2,1-2H3.
What are the key properties of 2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline?
2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline has a molecular weight of 286.37 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(2-propan-2-ylpyrrolidin-1-yl)sulfonylaniline is sourced from PubChem (CID 82844266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).