N-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

C23H27F3N2O3S — CID 123163181

IUPACN-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccc(OC3CCCC3)cc2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H27F3N2O3S/c24-23(25,26)18-4-3-7-22(14-18)32(29,30)27-19-12-13-28(16-19)15-17-8-10-21(11-9-17)31-20-5-1-2-6-20/h3-4,7-11,14,19-20,27H,1-2,5-6,12-13,15-16H2
InChIKeyWDKCIJHYSLFNTL-UHFFFAOYSA-N
MW468.54 g/mol
LogP4.58
Rot. Bonds7

About N-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide

N-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 123163181) has the molecular formula C23H27F3N2O3S and a molecular weight of 468.54 g/mol. Its IUPAC name is N-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID123163181
Molecular FormulaC23H27F3N2O3S
Molecular Weight468.54 g/mol
Exact Mass468.17
IUPAC NameN-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NC1CCN(Cc2ccc(OC3CCCC3)cc2)C1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H27F3N2O3S/c24-23(25,26)18-4-3-7-22(14-18)32(29,30)27-19-12-13-28(16-19)15-17-8-10-21(11-9-17)31-20-5-1-2-6-20/h3-4,7-11,14,19-20,27H,1-2,5-6,12-13,15-16H2
InChIKeyWDKCIJHYSLFNTL-UHFFFAOYSA-N
XLogP4.58
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.54
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 144961584
N-[(3R)-1-[(4-cyclopropyloxyphenyl)methyl]pyrrolidin-3-yl]-2-methyl-5-(trifluoromethyl)benzenesulfonamide
CID 118521530
N-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 123995478
N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 118521515
3-chloro-N-[(3R)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide
CID 118521616
N-[(3R)-1-[[4-(4-methoxyphenyl)phenyl]methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 130224647
N-[(3R)-1-[[4-(4-methylphenyl)phenyl]methyl]pyrrolidin-3-yl]-3-(trifluoromethoxy)benzenesulfonamide
CID 130211571
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
3-N-(1-benzylpyrrolidin-3-yl)benzene-1,3-disulfonamide
CID 55512031
(3R)-1-[[4-(trifluoromethoxy)phenyl]methyl]-3-[[3-(trifluoromethyl)phenyl]sulfonylmethyl]pyrrolidine
CID 158782417
(3R)-1-[(4-cyclopropyloxyphenyl)methyl]-N-[3-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidin-3-amine
CID 118521646
2-chloro-N-[(3R)-1-[(4-phenylphenyl)methyl]pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide
CID 130225287

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide (CID 123163181) is N-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NC1CCN(Cc2ccc(OC3CCCC3)cc2)C1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WDKCIJHYSLFNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O3S/c24-23(25,26)18-4-3-7-22(14-18)32(29,30)27-19-12-13-28(16-19)15-17-8-10-21(11-9-17)31-20-5-1-2-6-20/h3-4,7-11,14,19-20,27H,1-2,5-6,12-13,15-16H2.
What are the key properties of N-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide?
N-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 468.54 g/mol, XLogP of 4.58, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-cyclopentyloxyphenyl)methyl]pyrrolidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 123163181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).