N-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide

C16H14FN3O5S — CID 66907690

IUPACN-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide
SMILESO=C1CN(CNS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1
InChIInChI=1S/C16H14FN3O5S/c17-11-1-3-12(4-2-11)25-13-5-7-14(8-6-13)26(23,24)18-10-20-9-15(21)19-16(20)22/h1-8,18H,9-10H2,(H,19,21,22)
InChIKeyJIGHTZYTRCVVQN-UHFFFAOYSA-N
MW379.37 g/mol
LogP1.41
Rot. Bonds6

About N-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide

N-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide (PubChem CID 66907690) has the molecular formula C16H14FN3O5S and a molecular weight of 379.37 g/mol. Its IUPAC name is N-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide
PubChem CID66907690
Molecular FormulaC16H14FN3O5S
Molecular Weight379.37 g/mol
Exact Mass379.06
IUPAC NameN-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide
SMILESO=C1CN(CNS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1
InChIInChI=1S/C16H14FN3O5S/c17-11-1-3-12(4-2-11)25-13-5-7-14(8-6-13)26(23,24)18-10-20-9-15(21)19-16(20)22/h1-8,18H,9-10H2,(H,19,21,22)
InChIKeyJIGHTZYTRCVVQN-UHFFFAOYSA-N
XLogP1.41
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 51.41
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

4-fluoro-N-[2-(4-fluorophenoxy)ethyl]benzenesulfonamide
CID 3127035
cis-(3R,4S)-1-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-3,4-dihydroxycyclopentane-1-carboxylic acid
CID 70218691
N-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24644960
2-[[4-(4-fluorophenoxy)phenyl]sulfonylamino]-1,3-dihydroindene-2-carboxylic acid
CID 18365439
N-(2,4-dioxoimidazolidin-1-yl)-2-(4-fluorophenoxy)-2-methylpropanamide
CID 99787008
1-[4-(4-fluorophenoxy)phenyl]sulfonyl-1,3-diazinan-4-one
CID 142635977
2-[[4-[4-(carboxymethylsulfamoyl)phenoxy]phenyl]sulfonylamino]acetic acid
CID 169487948
4-fluoro-N-(phenoxymethyl)benzenesulfonamide
CID 70133327
1-(4-fluorophenyl)sulfonyl-4-phenoxybenzene
CID 853558
4-fluoro-N-[2-(4-methoxyphenyl)sulfonylethyl]benzenesulfonamide
CID 54774411
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
N-[2-(3,4-dihydroxyphenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(4-fluorophenoxy)benzenesulfonamide
CID 70895265

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide?
The IUPAC name of N-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide (CID 66907690) is N-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide.
What is the SMILES notation for N-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide?
The canonical SMILES for N-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide is O=C1CN(CNS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1.
What is the InChIKey of N-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide?
The InChIKey is JIGHTZYTRCVVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3O5S/c17-11-1-3-12(4-2-11)25-13-5-7-14(8-6-13)26(23,24)18-10-20-9-15(21)19-16(20)22/h1-8,18H,9-10H2,(H,19,21,22).
What are the key properties of N-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide?
N-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide has a molecular weight of 379.37 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dioxoimidazolidin-1-yl)methyl]-4-(4-fluorophenoxy)benzenesulfonamide is sourced from PubChem (CID 66907690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).