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

C18H16F3N3O5S — CID 59710562

IUPACN-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESCN(C[C@@H]1NC(=O)NC1=O)S(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H16F3N3O5S/c1-24(10-15-16(25)23-17(26)22-15)30(27,28)14-8-6-13(7-9-14)29-12-4-2-11(3-5-12)18(19,20)21/h2-9,15H,10H2,1H3,(H2,22,23,25,26)/t15-/m0/s1
InChIKeyAADVDOFRPDZACN-HNNXBMFYSA-N
MW443.40 g/mol
LogP2.33
Rot. Bonds6

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

N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide (PubChem CID 59710562) has the molecular formula C18H16F3N3O5S and a molecular weight of 443.40 g/mol. Its IUPAC name is N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
PubChem CID59710562
Molecular FormulaC18H16F3N3O5S
Molecular Weight443.40 g/mol
Exact Mass443.08
IUPAC NameN-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESCN(C[C@@H]1NC(=O)NC1=O)S(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H16F3N3O5S/c1-24(10-15-16(25)23-17(26)22-15)30(27,28)14-8-6-13(7-9-14)29-12-4-2-11(3-5-12)18(19,20)21/h2-9,15H,10H2,1H3,(H2,22,23,25,26)/t15-/m0/s1
InChIKeyAADVDOFRPDZACN-HNNXBMFYSA-N
XLogP2.33
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.40
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 66908054
N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide
CID 66907928
N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 115319055
3-[4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]cyclohexyl]propyl methanesulfonate
CID 87996274
N-methyl-N-[[4-[[methyl(prop-2-enyl)amino]methyl]cyclohexyl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 22310802
N-[[4-[2-[bis(2-hydroxypropyl)amino]ethyl]cyclohexyl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 22294222
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 142170744
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide
CID 66907731
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 59710560
N-(2-aminoethyl)-N-methyl-4-(trifluoromethoxy)benzenesulfonamide
CID 55103943
4-chloro-N-methyl-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 58597499
N-methyl-N-pyrrolidin-3-yl-4-(trifluoromethoxy)benzenesulfonamide
CID 63298210

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The IUPAC name of N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide (CID 59710562) is N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The canonical SMILES for N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide is CN(C[C@@H]1NC(=O)NC1=O)S(=O)(=O)c1ccc(Oc2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The InChIKey is AADVDOFRPDZACN-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16F3N3O5S/c1-24(10-15-16(25)23-17(26)22-15)30(27,28)14-8-6-13(7-9-14)29-12-4-2-11(3-5-12)18(19,20)21/h2-9,15H,10H2,1H3,(H2,22,23,25,26)/t15-/m0/s1.
What are the key properties of N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide has a molecular weight of 443.40 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 59710562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).