N-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide

C19H18F3N3O5S — CID 59710583

IUPACN-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)[C@@]1(C)NC(=O)NC1=O
InChIInChI=1S/C19H18F3N3O5S/c1-11(18(2)16(26)23-17(27)24-18)25-31(28,29)15-9-7-14(8-10-15)30-13-5-3-12(4-6-13)19(20,21)22/h3-11,25H,1-2H3,(H2,23,24,26,27)/t11-,18-/m1/s1
InChIKeyYQOOSRFZFVRUAA-ADLMAVQZSA-N
MW457.43 g/mol
LogP2.76
Rot. Bonds6

About N-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide

N-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide (PubChem CID 59710583) has the molecular formula C19H18F3N3O5S and a molecular weight of 457.43 g/mol. Its IUPAC name is N-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
PubChem CID59710583
Molecular FormulaC19H18F3N3O5S
Molecular Weight457.43 g/mol
Exact Mass457.09
IUPAC NameN-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)[C@@]1(C)NC(=O)NC1=O
InChIInChI=1S/C19H18F3N3O5S/c1-11(18(2)16(26)23-17(27)24-18)25-31(28,29)15-9-7-14(8-10-15)30-13-5-3-12(4-6-13)19(20,21)22/h3-11,25H,1-2H3,(H2,23,24,26,27)/t11-,18-/m1/s1
InChIKeyYQOOSRFZFVRUAA-ADLMAVQZSA-N
XLogP2.76
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.43
LogP ≤ 52.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-[(1R)-1-[(4S)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-pyridin-2-yloxybenzenesulfonamide
CID 59710545
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 142170744
N-(1,1-dimethoxypropan-2-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 5165120
4-methyl-N-[2-methyl-4-[4-(trifluoromethyl)phenoxy]phenyl]benzenesulfonamide
CID 169372712
3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanoic acid
CID 43091494
N-[1-(3,4-dichlorophenyl)-2-(dimethylamino)ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164862402
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 59710562
4-methyl-N-[(R)-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 154713229
N-(1-naphthalen-2-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3856881
(2R)-N-hydroxy-3-methyl-2-[[4-(trifluoromethyl)phenyl]sulfonylamino]butanamide
CID 6539665
N-[1-(4-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 164862395
4-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 43001289

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The IUPAC name of N-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide (CID 59710583) is N-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for N-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The canonical SMILES for N-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide is C[C@@H](NS(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)[C@@]1(C)NC(=O)NC1=O.
What is the InChIKey of N-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The InChIKey is YQOOSRFZFVRUAA-ADLMAVQZSA-N. The full InChI is InChI=1S/C19H18F3N3O5S/c1-11(18(2)16(26)23-17(27)24-18)25-31(28,29)15-9-7-14(8-10-15)30-13-5-3-12(4-6-13)19(20,21)22/h3-11,25H,1-2H3,(H2,23,24,26,27)/t11-,18-/m1/s1.
What are the key properties of N-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
N-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide has a molecular weight of 457.43 g/mol, XLogP of 2.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(4R)-4-methyl-2,5-dioxoimidazolidin-4-yl]ethyl]-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 59710583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).