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

C17H17N3O5S — CID 66907731

IUPACN-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)NCC2NC(=O)NC2=O)cc1
InChIInChI=1S/C17H17N3O5S/c1-11-4-2-3-5-15(11)25-12-6-8-13(9-7-12)26(23,24)18-10-14-16(21)20-17(22)19-14/h2-9,14,18H,10H2,1H3,(H2,19,20,21,22)
InChIKeyAJQCWSVPWOHYQD-UHFFFAOYSA-N
MW375.41 g/mol
LogP1.27
Rot. Bonds6

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

N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide (PubChem CID 66907731) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide
PubChem CID66907731
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide
SMILESCc1ccccc1Oc1ccc(S(=O)(=O)NCC2NC(=O)NC2=O)cc1
InChIInChI=1S/C17H17N3O5S/c1-11-4-2-3-5-15(11)25-12-6-8-13(9-7-12)26(23,24)18-10-14-16(21)20-17(22)19-14/h2-9,14,18H,10H2,1H3,(H2,19,20,21,22)
InChIKeyAJQCWSVPWOHYQD-UHFFFAOYSA-N
XLogP1.27
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.41
LogP ≤ 51.27
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]-4-(2-methoxyphenoxy)benzenesulfonamide
CID 59710560
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-methylphenoxy)-N-(2-phenylethyl)benzenesulfonamide
CID 3518199
4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-3-ium-4-yl]methyl]benzenesulfonamide
CID 142170734
4-(2-methylphenoxy)-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597144
N-(2-chlorophenyl)-4-(2-methylphenoxy)benzenesulfonamide
CID 3508637
2-[[4-(2-methylphenoxy)phenyl]sulfonylamino]propanoate
CID 4124714
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974420

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide?
The IUPAC name of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide (CID 66907731) is N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide.
What is the SMILES notation for N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide?
The canonical SMILES for N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide is Cc1ccccc1Oc1ccc(S(=O)(=O)NCC2NC(=O)NC2=O)cc1.
What is the InChIKey of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide?
The InChIKey is AJQCWSVPWOHYQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-11-4-2-3-5-15(11)25-12-6-8-13(9-7-12)26(23,24)18-10-14-16(21)20-17(22)19-14/h2-9,14,18H,10H2,1H3,(H2,19,20,21,22).
What are the key properties of N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide?
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide has a molecular weight of 375.41 g/mol, XLogP of 1.27, 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]-4-(2-methylphenoxy)benzenesulfonamide is sourced from PubChem (CID 66907731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).