(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine

C20H24FNO2S — CID 51856123

IUPAC(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO2S/c1-20(2,3)16-8-12-18(13-9-16)25(23,24)22-14-4-5-19(22)15-6-10-17(21)11-7-15/h6-13,19H,4-5,14H2,1-3H3/t19-/m1/s1
InChIKeyVMHRAMSBDPDXRL-LJQANCHMSA-N
MW361.48 g/mol
LogP4.65
Rot. Bonds3

About (2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine

(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine (PubChem CID 51856123) has the molecular formula C20H24FNO2S and a molecular weight of 361.48 g/mol. Its IUPAC name is (2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
PubChem CID51856123
Molecular FormulaC20H24FNO2S
Molecular Weight361.48 g/mol
Exact Mass361.15
IUPAC Name(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1
InChIInChI=1S/C20H24FNO2S/c1-20(2,3)16-8-12-18(13-9-16)25(23,24)22-14-4-5-19(22)15-6-10-17(21)11-7-15/h6-13,19H,4-5,14H2,1-3H3/t19-/m1/s1
InChIKeyVMHRAMSBDPDXRL-LJQANCHMSA-N
XLogP4.65
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.48
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)pyrrolidine
CID 25498073
(2R)-2-(4-fluorophenyl)-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine
CID 51856541
(2S)-1-(4-fluorophenyl)sulfonyl-2-(4-methylphenyl)azepane
CID 95078895
N-[4-[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylphenyl]acetamide
CID 32681927
4-[2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonylbenzamide
CID 42938535
1-(4-fluorophenyl)sulfonyl-2-methylpyrrolidine
CID 60974394
(2S)-1-(4-fluorophenyl)sulfonyl-2-(2-methylphenyl)pyrrolidine
CID 51855972
1-(4-tert-butylphenyl)sulfonyl-4-(4-fluorophenyl)sulfonylpiperazine
CID 4510553
2-(4-methoxyphenyl)-1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidine
CID 46799982
1-(4-fluorophenyl)sulfonyl-2-(3-methylphenyl)azepane
CID 53096117
7-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]sulfonyl-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 7210577
2-[1-(4-fluorophenyl)sulfonylpyrrolidin-2-yl]-1H-pyrrole
CID 47176211

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine?
The IUPAC name of (2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine (CID 51856123) is (2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine.
What is the SMILES notation for (2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine?
The canonical SMILES for (2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine is CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(F)cc2)cc1.
What is the InChIKey of (2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine?
The InChIKey is VMHRAMSBDPDXRL-LJQANCHMSA-N. The full InChI is InChI=1S/C20H24FNO2S/c1-20(2,3)16-8-12-18(13-9-16)25(23,24)22-14-4-5-19(22)15-6-10-17(21)11-7-15/h6-13,19H,4-5,14H2,1-3H3/t19-/m1/s1.
What are the key properties of (2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine?
(2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine has a molecular weight of 361.48 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-tert-butylphenyl)sulfonyl-2-(4-fluorophenyl)pyrrolidine is sourced from PubChem (CID 51856123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).