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

C16H14ClN3O5S — CID 59710547

IUPAC4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide
SMILESO=C1NC(=O)[C@H](CNS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)N1
InChIInChI=1S/C16H14ClN3O5S/c17-12-3-1-2-4-14(12)25-10-5-7-11(8-6-10)26(23,24)18-9-13-15(21)20-16(22)19-13/h1-8,13,18H,9H2,(H2,19,20,21,22)/t13-/m0/s1
InChIKeyVQWHLVMEHAQXQG-ZDUSSCGKSA-N
MW395.82 g/mol
LogP1.62
Rot. Bonds6

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

4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide (PubChem CID 59710547) has the molecular formula C16H14ClN3O5S and a molecular weight of 395.82 g/mol. Its IUPAC name is 4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide
PubChem CID59710547
Molecular FormulaC16H14ClN3O5S
Molecular Weight395.82 g/mol
Exact Mass395.03
IUPAC Name4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide
SMILESO=C1NC(=O)[C@H](CNS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)N1
InChIInChI=1S/C16H14ClN3O5S/c17-12-3-1-2-4-14(12)25-10-5-7-11(8-6-10)26(23,24)18-9-13-15(21)20-16(22)19-13/h1-8,13,18H,9H2,(H2,19,20,21,22)/t13-/m0/s1
InChIKeyVQWHLVMEHAQXQG-ZDUSSCGKSA-N
XLogP1.62
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.82
LogP ≤ 51.62
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
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-4-(2-methylphenoxy)benzenesulfonamide
CID 66907731
4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-3-ium-4-yl]methyl]benzenesulfonamide
CID 142170734
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-2-(4-methylphenoxy)benzenesulfonamide
CID 70000463
4-(2-chlorophenoxy)-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974420
4-(2-chlorophenoxy)-N-[6-[[4-(2-chlorophenoxy)phenyl]sulfonylamino]hexyl]benzenesulfonamide
CID 3543296
N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]-3-(4-methylphenoxy)benzenesulfonamide
CID 59710524
N-[(2,5-dioxoimidazolidin-4-yl)methyl]-3-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 66908054
N-(3-aminobutyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
CID 119972685
N-(4-aminocyclohexyl)-4-(2-chlorophenoxy)benzenesulfonamide;hydrochloride
CID 119970878
4-(2-chlorophenoxy)-N-naphthalen-1-ylbenzenesulfonamide
CID 3535745
1-(4-chlorophenyl)-N-[(2,5-dioxoimidazolidin-4-yl)methyl]methanesulfonamide
CID 110722375

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide (CID 59710547) is 4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide is O=C1NC(=O)[C@H](CNS(=O)(=O)c2ccc(Oc3ccccc3Cl)cc2)N1.
What is the InChIKey of 4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide?
The InChIKey is VQWHLVMEHAQXQG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H14ClN3O5S/c17-12-3-1-2-4-14(12)25-10-5-7-11(8-6-10)26(23,24)18-9-13-15(21)20-16(22)19-13/h1-8,13,18H,9H2,(H2,19,20,21,22)/t13-/m0/s1.
What are the key properties of 4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide?
4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide has a molecular weight of 395.82 g/mol, XLogP of 1.62, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenoxy)-N-[[(4S)-2,5-dioxoimidazolidin-4-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 59710547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).