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

C17H17N3O6S — CID 59710560

IUPACN-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)NC[C@@H]2NC(=O)NC2=O)cc1
InChIInChI=1S/C17H17N3O6S/c1-25-14-4-2-3-5-15(14)26-11-6-8-12(9-7-11)27(23,24)18-10-13-16(21)20-17(22)19-13/h2-9,13,18H,10H2,1H3,(H2,19,20,21,22)/t13-/m0/s1
InChIKeyKOJHPRSCMLZNOY-ZDUSSCGKSA-N
MW391.41 g/mol
LogP0.97
Rot. Bonds7

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

N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide (PubChem CID 59710560) has the molecular formula C17H17N3O6S and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide
PubChem CID59710560
Molecular FormulaC17H17N3O6S
Molecular Weight391.41 g/mol
Exact Mass391.08
IUPAC NameN-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide
SMILESCOc1ccccc1Oc1ccc(S(=O)(=O)NC[C@@H]2NC(=O)NC2=O)cc1
InChIInChI=1S/C17H17N3O6S/c1-25-14-4-2-3-5-15(14)26-11-6-8-12(9-7-11)27(23,24)18-10-13-16(21)20-17(22)19-13/h2-9,13,18H,10H2,1H3,(H2,19,20,21,22)/t13-/m0/s1
InChIKeyKOJHPRSCMLZNOY-ZDUSSCGKSA-N
XLogP0.97
TPSA122.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide
CID 66907731
4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide
CID 59710547
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-methylphenoxy)benzenesulfonamide
CID 70000463
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide
CID 59710524
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3,4-dimethylbenzenesulfonamide
CID 110722347
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 66908054
4-(2-methoxyphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 1281323
N-[(5-hydroxy-2-oxo-1,3-dihydroimidazol-4-yl)methyl]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 91085408
N-[3-(2-methoxyphenyl)propyl]-4-phenoxybenzenesulfonamide
CID 28567796
4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-3-ium-4-yl]methyl]benzenesulfonamide
CID 142170734
N-benzyl-N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(4-methoxyphenoxy)benzenesulfonamide
CID 66907928
4-bromo-N-[4-(2-methoxyphenoxy)phenyl]benzenesulfonamide
CID 1218218

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide?
The IUPAC name of N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide (CID 59710560) is N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide.
What is the SMILES notation for N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide?
The canonical SMILES for N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide is COc1ccccc1Oc1ccc(S(=O)(=O)NC[C@@H]2NC(=O)NC2=O)cc1.
What is the InChIKey of N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide?
The InChIKey is KOJHPRSCMLZNOY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H17N3O6S/c1-25-14-4-2-3-5-15(14)26-11-6-8-12(9-7-11)27(23,24)18-10-13-16(21)20-17(22)19-13/h2-9,13,18H,10H2,1H3,(H2,19,20,21,22)/t13-/m0/s1.
What are the key properties of N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide?
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide has a molecular weight of 391.41 g/mol, XLogP of 0.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-4-(2-methoxyphenoxy)benzenesulfonamide is sourced from PubChem (CID 59710560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).