1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine

C17H18FNO2S — CID 51055229

IUPAC1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H18FNO2S/c1-13-11-16(18)7-8-17(13)22(20,21)19-10-9-15(12-19)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3
InChIKeyNLYXEZUOGZKPCU-UHFFFAOYSA-N
MW319.40 g/mol
LogP3.31
Rot. Bonds3

About 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine

1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine (PubChem CID 51055229) has the molecular formula C17H18FNO2S and a molecular weight of 319.40 g/mol. Its IUPAC name is 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine.

Molecular Properties

Compound Name1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
PubChem CID51055229
Molecular FormulaC17H18FNO2S
Molecular Weight319.40 g/mol
Exact Mass319.10
IUPAC Name1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine
SMILESCc1cc(F)ccc1S(=O)(=O)N1CCC(c2ccccc2)C1
InChIInChI=1S/C17H18FNO2S/c1-13-11-16(18)7-8-17(13)22(20,21)19-10-9-15(12-19)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3
InChIKeyNLYXEZUOGZKPCU-UHFFFAOYSA-N
XLogP3.31
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-chlorophenyl)-1-(4-fluoro-2-methylphenyl)sulfonylazepane
CID 121146863
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenoxypiperidine
CID 110605443
3-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 114801916
(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpiperidin-3-amine
CID 93274616
4-(4-fluorophenyl)-1-(4-methoxy-2-methylphenyl)sulfonylpiperidine
CID 171678466
methyl 1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine-3-carboxylate
CID 47305546
3-(cyclopropylmethoxy)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidine
CID 121197715
1-(4-fluoro-2-methylphenyl)sulfonyl-4,4-dimethylpiperidine
CID 110738659
1-(4-fluoro-2-methylphenyl)sulfonylpiperidine-3-sulfonamide
CID 61132278
2-[(3R)-1-(4-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-4-pyridin-2-yl-1H-pyrimidin-6-one
CID 136850595
3-ethyl-1-(4-fluoro-2-methylphenyl)sulfonyl-N-methylpiperidin-4-amine
CID 114507294
1,4-bis[(4-fluoro-2-methylphenyl)sulfonyl]-1,4-diazepane
CID 52559280

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine?
The IUPAC name of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine (CID 51055229) is 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine.
What is the SMILES notation for 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine?
The canonical SMILES for 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine is Cc1cc(F)ccc1S(=O)(=O)N1CCC(c2ccccc2)C1.
What is the InChIKey of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine?
The InChIKey is NLYXEZUOGZKPCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2S/c1-13-11-16(18)7-8-17(13)22(20,21)19-10-9-15(12-19)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12H2,1H3.
What are the key properties of 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine?
1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine has a molecular weight of 319.40 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-2-methylphenyl)sulfonyl-3-phenylpyrrolidine is sourced from PubChem (CID 51055229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).