3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide

C16H19ClN4O5S — CID 121160272

IUPAC3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(Cl)c1)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C16H19ClN4O5S/c17-11-2-1-3-13(8-11)27(25,26)19-10-14(22)20-6-4-12(5-7-20)21-15(23)9-18-16(21)24/h1-3,8,12,19H,4-7,9-10H2,(H,18,24)
InChIKeyFWBRSJLWMVRYRO-UHFFFAOYSA-N
MW414.87 g/mol
LogP0.16
Rot. Bonds5

About 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide

3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide (PubChem CID 121160272) has the molecular formula C16H19ClN4O5S and a molecular weight of 414.87 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
PubChem CID121160272
Molecular FormulaC16H19ClN4O5S
Molecular Weight414.87 g/mol
Exact Mass414.08
IUPAC Name3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1cccc(Cl)c1)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C16H19ClN4O5S/c17-11-2-1-3-13(8-11)27(25,26)19-10-14(22)20-6-4-12(5-7-20)21-15(23)9-18-16(21)24/h1-3,8,12,19H,4-7,9-10H2,(H,18,24)
InChIKeyFWBRSJLWMVRYRO-UHFFFAOYSA-N
XLogP0.16
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 121160283
3-[1-[3-(3-chlorophenyl)propanoyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159824
3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 71809313
3-chloro-N-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370807
3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159909
3-chloro-N-[2-oxo-2-(3-oxospiro[2-benzofuran-1,3'-piperidine]-1'-yl)ethyl]benzenesulfonamide
CID 90618532
3-[1-[2-(4-methoxyphenyl)acetyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 121160207
3-chloro-N-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 110370874
3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60894571
3-fluoro-N-[2-oxo-2-[3-(triazol-1-yl)pyrrolidin-1-yl]ethyl]benzenesulfonamide
CID 121150849
3-chloro-N-[3-oxo-3-[4-[4-(1,3-thiazol-2-yloxy)piperidin-1-yl]piperidin-1-yl]propyl]benzenesulfonamide
CID 90617703
N-[2-(1-benzoylpiperidin-4-yl)ethyl]-3-chlorobenzenesulfonamide
CID 53103868

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide (CID 121160272) is 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide is O=C(CNS(=O)(=O)c1cccc(Cl)c1)N1CCC(N2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
The InChIKey is FWBRSJLWMVRYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O5S/c17-11-2-1-3-13(8-11)27(25,26)19-10-14(22)20-6-4-12(5-7-20)21-15(23)9-18-16(21)24/h1-3,8,12,19H,4-7,9-10H2,(H,18,24).
What are the key properties of 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide?
3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide has a molecular weight of 414.87 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide is sourced from PubChem (CID 121160272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).