1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide

C18H20ClFN2O2S — CID 110640715

IUPAC1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCC1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C18H20ClFN2O2S/c19-16-3-1-14(2-4-16)13-25(23,24)21-11-15-9-10-22(12-15)18-7-5-17(20)6-8-18/h1-8,15,21H,9-13H2
InChIKeyBYVBDOQUGCBGEX-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.42
Rot. Bonds6

About 1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide

1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide (PubChem CID 110640715) has the molecular formula C18H20ClFN2O2S and a molecular weight of 382.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
PubChem CID110640715
Molecular FormulaC18H20ClFN2O2S
Molecular Weight382.89 g/mol
Exact Mass382.09
IUPAC Name1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccc(Cl)cc1)NCC1CCN(c2ccc(F)cc2)C1
InChIInChI=1S/C18H20ClFN2O2S/c19-16-3-1-14(2-4-16)13-25(23,24)21-11-15-9-10-22(12-15)18-7-5-17(20)6-8-18/h1-8,15,21H,9-13H2
InChIKeyBYVBDOQUGCBGEX-UHFFFAOYSA-N
XLogP3.42
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 46229827
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CID 11810334
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CID 16890424
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CID 16890826
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CID 29344552
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CID 29344667
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CID 71978012
CID 71978012

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide (CID 110640715) is 1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide is O=S(=O)(Cc1ccc(Cl)cc1)NCC1CCN(c2ccc(F)cc2)C1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
The InChIKey is BYVBDOQUGCBGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClFN2O2S/c19-16-3-1-14(2-4-16)13-25(23,24)21-11-15-9-10-22(12-15)18-7-5-17(20)6-8-18/h1-8,15,21H,9-13H2.
What are the key properties of 1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide?
1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide has a molecular weight of 382.89 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[[1-(4-fluorophenyl)pyrrolidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 110640715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).