N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide

C14H17F3N2O5S2 — CID 146210433

IUPACN-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3N2O5S2/c1-2-25(20,21)18-9-11-7-8-19(10-11)26(22,23)13-5-3-12(4-6-13)24-14(15,16)17/h2-6,11,18H,1,7-10H2
InChIKeyXMXZQNUXZWYJJP-UHFFFAOYSA-N
MW414.43 g/mol
LogP1.66
Rot. Bonds7

About N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide

N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide (PubChem CID 146210433) has the molecular formula C14H17F3N2O5S2 and a molecular weight of 414.43 g/mol. Its IUPAC name is N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide.

Molecular Properties

Compound NameN-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
PubChem CID146210433
Molecular FormulaC14H17F3N2O5S2
Molecular Weight414.43 g/mol
Exact Mass414.05
IUPAC NameN-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
SMILESC=CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1
InChIInChI=1S/C14H17F3N2O5S2/c1-2-25(20,21)18-9-11-7-8-19(10-11)26(22,23)13-5-3-12(4-6-13)24-14(15,16)17/h2-6,11,18H,1,7-10H2
InChIKeyXMXZQNUXZWYJJP-UHFFFAOYSA-N
XLogP1.66
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.43
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[4-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211846
[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methanol
CID 62373102
N-[[(3R)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]methyl]ethenesulfonamide
CID 146211158
N-[[(3S)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211982
N-[[(3R)-1-(3-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211401
N-[[(3R)-1-[4-[2-hydroxyethyl-[[4-(trifluoromethyl)phenyl]methyl]amino]phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211192
N-[[(3R)-1-[(2-methoxy-2,3-dihydro-1H-inden-5-yl)sulfonyl]pyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211986
N-[[(3R)-1-[3-(hydroxyamino)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146211907
4-[(3R)-3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonyl-N-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]benzamide
CID 146211343
1-[4-[(3R)-3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]-N,N-dimethylcyclopropane-1-carboxamide
CID 146210891
3-(2,2-difluorocyclopropyl)-2-[4-[(3R)-3-[(ethenylsulfonylamino)methyl]pyrrolidin-1-yl]sulfonylphenyl]propanamide
CID 146211024
N-[[(3R)-1-thiophen-2-ylsulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide
CID 146210607

Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The IUPAC name of N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide (CID 146210433) is N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide.
What is the SMILES notation for N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The canonical SMILES for N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide is C=CS(=O)(=O)NCC1CCN(S(=O)(=O)c2ccc(OC(F)(F)F)cc2)C1.
What is the InChIKey of N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide?
The InChIKey is XMXZQNUXZWYJJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O5S2/c1-2-25(20,21)18-9-11-7-8-19(10-11)26(22,23)13-5-3-12(4-6-13)24-14(15,16)17/h2-6,11,18H,1,7-10H2.
What are the key properties of N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide?
N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide has a molecular weight of 414.43 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(trifluoromethoxy)phenyl]sulfonylpyrrolidin-3-yl]methyl]ethenesulfonamide is sourced from PubChem (CID 146210433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).