1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine

C11H14FNO2S — CID 60974394

IUPAC1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
SMILESCC1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c1-9-3-2-8-13(9)16(14,15)11-6-4-10(12)5-7-11/h4-7,9H,2-3,8H2,1H3
InChIKeyDBTVRKVQHDDZCJ-UHFFFAOYSA-N
MW243.30 g/mol
LogP2.00
Rot. Bonds2

About 1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine

1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine (PubChem CID 60974394) has the molecular formula C11H14FNO2S and a molecular weight of 243.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
PubChem CID60974394
Molecular FormulaC11H14FNO2S
Molecular Weight243.30 g/mol
Exact Mass243.07
IUPAC Name1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
SMILESCC1CCCN1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO2S/c1-9-3-2-8-13(9)16(14,15)11-6-4-10(12)5-7-11/h4-7,9H,2-3,8H2,1H3
InChIKeyDBTVRKVQHDDZCJ-UHFFFAOYSA-N
XLogP2.00
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;(2S)-2-methyl-1-(4-methylphenyl)sulfonylpyrrolidine
CID 156877690
(2S)-2-methyl-1-(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylpiperidine
CID 1168281
2-fluoro-5-(2-methylpyrrolidin-1-yl)sulfonylaniline
CID 54882062
(2S)-1-(4-chlorophenyl)sulfonyl-2-methylpiperidine
CID 668791
1-(3,4-difluorophenyl)sulfonyl-2-methylpiperidine
CID 3701058
(2R)-2-methyl-1-[4-[(E)-2-phenylethenyl]phenyl]sulfonylpyrrolidine
CID 59100261
1-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]piperidine-2,6-dione
CID 110728255
(2S)-1-(4-fluorophenyl)sulfonyl-N'-hydroxypyrrolidine-2-carboximidamide
CID 90935377
1-(4-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 2947537
2-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]acetonitrile
CID 79186615
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
N'-[4-(2-methylpyrrolidin-1-yl)sulfonylphenyl]ethanimidamide
CID 144713635

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine (CID 60974394) is 1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine is CC1CCCN1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine?
The InChIKey is DBTVRKVQHDDZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2S/c1-9-3-2-8-13(9)16(14,15)11-6-4-10(12)5-7-11/h4-7,9H,2-3,8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine?
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine has a molecular weight of 243.30 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine is sourced from PubChem (CID 60974394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).