4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide

C19H19F3N2O5S — CID 27298305

IUPAC4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H19F3N2O5S/c1-28-16-9-8-13(12-17(16)30(26,27)24-10-4-5-11-24)18(25)23-14-6-2-3-7-15(14)29-19(20,21)22/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,23,25)
InChIKeyGZJGHGQBHXNVFX-UHFFFAOYSA-N
MW444.43 g/mol
LogP3.63
Rot. Bonds6

About 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide

4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide (PubChem CID 27298305) has the molecular formula C19H19F3N2O5S and a molecular weight of 444.43 g/mol. Its IUPAC name is 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide
PubChem CID27298305
Molecular FormulaC19H19F3N2O5S
Molecular Weight444.43 g/mol
Exact Mass444.10
IUPAC Name4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C19H19F3N2O5S/c1-28-16-9-8-13(12-17(16)30(26,27)24-10-4-5-11-24)18(25)23-14-6-2-3-7-15(14)29-19(20,21)22/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,23,25)
InChIKeyGZJGHGQBHXNVFX-UHFFFAOYSA-N
XLogP3.63
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.43
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(2-phenoxyphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26881544
4-methoxy-N-[2-(4-methylphenoxy)phenyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24681357
4-methoxy-N-(2-phenylphenyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 26727465
N-[2-(dimethylsulfamoyl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55985107
3-(azepan-1-ylsulfonyl)-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 24525410
N-(2,4-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892206
N-[2-(2,3-dihydroindol-1-yl)phenyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 38749018
N-[2-chloro-5-(trifluoromethyl)phenyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892199
4-methoxy-3-[(2-methylcyclohexyl)sulfamoyl]-N-[2-(trifluoromethoxy)phenyl]benzamide
CID 46644366
N-(4-chloro-2,5-dimethoxyphenyl)-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
CID 18892263
N-(4-iodophenyl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1310055
3-(azepan-1-ylsulfonyl)-4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883151

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide?
The IUPAC name of 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide (CID 27298305) is 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide?
The canonical SMILES for 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide is COc1ccc(C(=O)Nc2ccccc2OC(F)(F)F)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide?
The InChIKey is GZJGHGQBHXNVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O5S/c1-28-16-9-8-13(12-17(16)30(26,27)24-10-4-5-11-24)18(25)23-14-6-2-3-7-15(14)29-19(20,21)22/h2-3,6-9,12H,4-5,10-11H2,1H3,(H,23,25).
What are the key properties of 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide?
4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide has a molecular weight of 444.43 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-pyrrolidin-1-ylsulfonyl-N-[2-(trifluoromethoxy)phenyl]benzamide is sourced from PubChem (CID 27298305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).