N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide

C20H21F3N2O4S — CID 16829927

IUPACN-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2CNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H21F3N2O4S/c1-29-17-8-10-18(11-9-17)30(27,28)25-12-2-3-16(25)13-24-19(26)14-4-6-15(7-5-14)20(21,22)23/h4-11,16H,2-3,12-13H2,1H3,(H,24,26)
InChIKeyHTYJXNREZJAEOI-UHFFFAOYSA-N
MW442.46 g/mol
LogP3.30
Rot. Bonds6

About N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide

N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide (PubChem CID 16829927) has the molecular formula C20H21F3N2O4S and a molecular weight of 442.46 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
PubChem CID16829927
Molecular FormulaC20H21F3N2O4S
Molecular Weight442.46 g/mol
Exact Mass442.12
IUPAC NameN-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCCC2CNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C20H21F3N2O4S/c1-29-17-8-10-18(11-9-17)30(27,28)25-12-2-3-16(25)13-24-19(26)14-4-6-15(7-5-14)20(21,22)23/h4-11,16H,2-3,12-13H2,1H3,(H,24,26)
InChIKeyHTYJXNREZJAEOI-UHFFFAOYSA-N
XLogP3.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.46
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 16829934
N'-cyclopropyl-N-[[(2R)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 7286315
4-chloro-N-[[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286218
N-[[(2S)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]methyl]benzamide
CID 7286245
N'-(3,5-dimethylphenyl)-N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 16829914
N-[2-(diethylamino)ethyl]-N'-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 16812794
N'-[(4-chlorophenyl)methyl]-N-[[(2S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]oxamide
CID 41222672
N-[[1-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]-4-(trifluoromethyl)benzamide
CID 110640583
2-ethyl-1-(4-methoxyphenyl)sulfonylpyrrolidine
CID 110429014
2-methoxy-N-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide
CID 167743860
2-[4-[(2R)-2-[(2-chloroprop-2-enylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]acetamide
CID 146210877
[(2S)-1-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 174971358

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide (CID 16829927) is N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide is COc1ccc(S(=O)(=O)N2CCCC2CNC(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is HTYJXNREZJAEOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O4S/c1-29-17-8-10-18(11-9-17)30(27,28)25-12-2-3-16(25)13-24-19(26)14-4-6-15(7-5-14)20(21,22)23/h4-11,16H,2-3,12-13H2,1H3,(H,24,26).
What are the key properties of N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide?
N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 442.46 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)sulfonylpyrrolidin-2-yl]methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 16829927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).