N-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide

C21H24ClN3O4S — CID 166233909

IUPACN-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide
SMILESCc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C21H24ClN3O4S/c1-14-5-10-17(11-18(14)30(28,29)23-21(2,3)4)25-19(26)13-24(20(25)27)12-15-6-8-16(22)9-7-15/h5-11,23H,12-13H2,1-4H3
InChIKeySAUNZLUPGVRSTR-UHFFFAOYSA-N
MW449.96 g/mol
LogP3.69
Rot. Bonds5

About N-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide

N-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide (PubChem CID 166233909) has the molecular formula C21H24ClN3O4S and a molecular weight of 449.96 g/mol. Its IUPAC name is N-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide
PubChem CID166233909
Molecular FormulaC21H24ClN3O4S
Molecular Weight449.96 g/mol
Exact Mass449.12
IUPAC NameN-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide
SMILESCc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)cc1S(=O)(=O)NC(C)(C)C
InChIInChI=1S/C21H24ClN3O4S/c1-14-5-10-17(11-18(14)30(28,29)23-21(2,3)4)25-19(26)13-24(20(25)27)12-15-6-8-16(22)9-7-15/h5-11,23H,12-13H2,1-4H3
InChIKeySAUNZLUPGVRSTR-UHFFFAOYSA-N
XLogP3.69
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.96
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(3-benzyl-2,5-dioxoimidazolidin-1-yl)-N-cyclopropyl-2-methylbenzenesulfonamide
CID 166233908
1-benzyl-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 164659301
1-[(4-chlorophenyl)methyl]-3-(2-methylsulfonylethyl)imidazolidine-2,4-dione
CID 99797405
2-[3-(tert-butylsulfamoyl)-4-methylphenyl]-N-propan-2-ylacetamide
CID 159113600
N-tert-butyl-5-fluoro-2-methylbenzenesulfonamide
CID 47190028
N-tert-butyl-3-[4-[(4-chlorophenyl)methyl]-1,4-diazepane-1-carbonyl]-4-methylbenzenesulfonamide
CID 55474602
N-[2-(4-chlorophenyl)ethyl]-2-methyl-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzenesulfonamide
CID 21004681
1-benzyl-3-(4-chlorophenyl)-1,3-diazinane-2,4-dione
CID 10734075
N-[[(3S)-1-(4-chlorophenyl)-5-oxopyrrolidin-3-yl]methyl]-2,5-dimethylbenzenesulfonamide
CID 40912290
5-chloro-2-methyl-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16890954
1-(4-chlorophenyl)-3-(4-methylphenyl)imidazolidine-2,4-dione
CID 60837458
5-[[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]methyl]-N-[2-(4-chlorophenyl)ethyl]-2-methylbenzenesulfonamide
CID 98226785

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide?
The IUPAC name of N-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide (CID 166233909) is N-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for N-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for N-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide is Cc1ccc(N2C(=O)CN(Cc3ccc(Cl)cc3)C2=O)cc1S(=O)(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide?
The InChIKey is SAUNZLUPGVRSTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClN3O4S/c1-14-5-10-17(11-18(14)30(28,29)23-21(2,3)4)25-19(26)13-24(20(25)27)12-15-6-8-16(22)9-7-15/h5-11,23H,12-13H2,1-4H3.
What are the key properties of N-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide?
N-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide has a molecular weight of 449.96 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[3-[(4-chlorophenyl)methyl]-2,5-dioxoimidazolidin-1-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 166233909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).