N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide

C17H14F3N3O5S — CID 66908054

IUPACN-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESO=C1NC(=O)C(CNS(=O)(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3)c2)N1
InChIInChI=1S/C17H14F3N3O5S/c18-17(19,20)10-4-6-11(7-5-10)28-12-2-1-3-13(8-12)29(26,27)21-9-14-15(24)23-16(25)22-14/h1-8,14,21H,9H2,(H2,22,23,24,25)
InChIKeyJRSZOETZMGUNJS-UHFFFAOYSA-N
MW429.38 g/mol
LogP1.98
Rot. Bonds6

About N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide

N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide (PubChem CID 66908054) has the molecular formula C17H14F3N3O5S and a molecular weight of 429.38 g/mol. Its IUPAC name is N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
PubChem CID66908054
Molecular FormulaC17H14F3N3O5S
Molecular Weight429.38 g/mol
Exact Mass429.06
IUPAC NameN-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
SMILESO=C1NC(=O)C(CNS(=O)(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3)c2)N1
InChIInChI=1S/C17H14F3N3O5S/c18-17(19,20)10-4-6-11(7-5-10)28-12-2-1-3-13(8-12)29(26,27)21-9-14-15(24)23-16(25)22-14/h1-8,14,21H,9H2,(H2,22,23,24,25)
InChIKeyJRSZOETZMGUNJS-UHFFFAOYSA-N
XLogP1.98
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 51.98
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-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide
CID 59710524
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 59710562
4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide
CID 59710547
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 59710560
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide
CID 66907731
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 110722347
N-(2-methylpropyl)-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 142170744
N-(6-propan-2-yl-2-pyridinyl)-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 11697814
5-[(1R)-5-[4-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-yl]-1,3-oxazolidine-2,4-dione
CID 58005460
N-[[(3R)-oxolan-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 94061219
N-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 3781688
N-[[1-(oxolan-3-yl)piperidin-4-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide
CID 119104068

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The IUPAC name of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide (CID 66908054) is N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide.
What is the SMILES notation for N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The canonical SMILES for N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide is O=C1NC(=O)C(CNS(=O)(=O)c2cccc(Oc3ccc(C(F)(F)F)cc3)c2)N1.
What is the InChIKey of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
The InChIKey is JRSZOETZMGUNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O5S/c18-17(19,20)10-4-6-11(7-5-10)28-12-2-1-3-13(8-12)29(26,27)21-9-14-15(24)23-16(25)22-14/h1-8,14,21H,9H2,(H2,22,23,24,25).
What are the key properties of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide?
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide has a molecular weight of 429.38 g/mol, XLogP of 1.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide is sourced from PubChem (CID 66908054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).