N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide

C17H17N3O5S — CID 59710524

IUPACN-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide
SMILESCc1ccc(Oc2cccc(S(=O)(=O)NC[C@@H]3NC(=O)NC3=O)c2)cc1
InChIInChI=1S/C17H17N3O5S/c1-11-5-7-12(8-6-11)25-13-3-2-4-14(9-13)26(23,24)18-10-15-16(21)20-17(22)19-15/h2-9,15,18H,10H2,1H3,(H2,19,20,21,22)/t15-/m0/s1
InChIKeyWDBYHOMCEFGRKB-HNNXBMFYSA-N
MW375.41 g/mol
LogP1.27
Rot. Bonds6

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

N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide (PubChem CID 59710524) has the molecular formula C17H17N3O5S and a molecular weight of 375.41 g/mol. Its IUPAC name is N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide
PubChem CID59710524
Molecular FormulaC17H17N3O5S
Molecular Weight375.41 g/mol
Exact Mass375.09
IUPAC NameN-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide
SMILESCc1ccc(Oc2cccc(S(=O)(=O)NC[C@@H]3NC(=O)NC3=O)c2)cc1
InChIInChI=1S/C17H17N3O5S/c1-11-5-7-12(8-6-11)25-13-3-2-4-14(9-13)26(23,24)18-10-15-16(21)20-17(22)19-15/h2-9,15,18H,10H2,1H3,(H2,19,20,21,22)/t15-/m0/s1
InChIKeyWDBYHOMCEFGRKB-HNNXBMFYSA-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-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 66908054
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-methylphenoxy)benzenesulfonamide
CID 70000463
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-[[(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
3-(4-methylphenoxy)benzenesulfonyl chloride
CID 3840556
1-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-phenoxyphenyl)ethyl]methanesulfonamide
CID 141127653
1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide
CID 110722375
1-methyl-3-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 786799
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 59710562
3-methoxy-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide
CID 81259552

Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide?
The IUPAC name of N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide (CID 59710524) is N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide.
What is the SMILES notation for N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide?
The canonical SMILES for N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide is Cc1ccc(Oc2cccc(S(=O)(=O)NC[C@@H]3NC(=O)NC3=O)c2)cc1.
What is the InChIKey of N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide?
The InChIKey is WDBYHOMCEFGRKB-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17N3O5S/c1-11-5-7-12(8-6-11)25-13-3-2-4-14(9-13)26(23,24)18-10-15-16(21)20-17(22)19-15/h2-9,15,18H,10H2,1H3,(H2,19,20,21,22)/t15-/m0/s1.
What are the key properties of N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide?
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-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-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide is sourced from PubChem (CID 59710524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).