N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide

C17H14F3N3O5S — CID 38894275

IUPACN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=C1CNC(=O)N1Cc1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C17H14F3N3O5S/c18-17(19,20)28-13-4-6-14(7-5-13)29(26,27)22-12-3-1-2-11(8-12)10-23-15(24)9-21-16(23)25/h1-8,22H,9-10H2,(H,21,25)
InChIKeyGAKXXQPTAYAGKP-UHFFFAOYSA-N
MW429.38 g/mol
LogP2.44
Rot. Bonds6

About N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide

N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide (PubChem CID 38894275) has the molecular formula C17H14F3N3O5S and a molecular weight of 429.38 g/mol. Its IUPAC name is N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
PubChem CID38894275
Molecular FormulaC17H14F3N3O5S
Molecular Weight429.38 g/mol
Exact Mass429.06
IUPAC NameN-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide
SMILESO=C1CNC(=O)N1Cc1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1
InChIInChI=1S/C17H14F3N3O5S/c18-17(19,20)28-13-4-6-14(7-5-13)29(26,27)22-12-3-1-2-11(8-12)10-23-15(24)9-21-16(23)25/h1-8,22H,9-10H2,(H,21,25)
InChIKeyGAKXXQPTAYAGKP-UHFFFAOYSA-N
XLogP2.44
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 52.44
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-[4-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]benzenesulfonamide
CID 35543016
N-[3-(pyrazol-1-ylmethyl)phenyl]-3-(trifluoromethoxy)benzenesulfonamide
CID 38944455
4-[2-[3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid;4-[2-[3-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]ethyl]benzoic acid
CID 159129697
2-amino-N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-5-methylpyridine-3-sulfonamide
CID 75396064
4-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 46276526
N-[3-(pyridin-2-ylmethoxy)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 43069660
N-(4-ethylphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154312
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 86939886
N-[3-(1,3-oxazol-5-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3733543
N-[4-(hydroxymethyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 3675528
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]pyrrolidine-2-carboxamide
CID 119288678
N-(3-ethylphenyl)-4-(trifluoromethyl)benzenesulfonamide
CID 118346578

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide (CID 38894275) is N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide is O=C1CNC(=O)N1Cc1cccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c1.
What is the InChIKey of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is GAKXXQPTAYAGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O5S/c18-17(19,20)28-13-4-6-14(7-5-13)29(26,27)22-12-3-1-2-11(8-12)10-23-15(24)9-21-16(23)25/h1-8,22H,9-10H2,(H,21,25).
What are the key properties of N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide?
N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 429.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,5-dioxoimidazolidin-1-yl)methyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 38894275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).