4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride

C17H25ClN2O3S — CID 19711294

IUPAC4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride
SMILESCCCCCCCCN1CCN(c2ccc(S(=O)(=O)Cl)cc2)C1=O
InChIInChI=1S/C17H25ClN2O3S/c1-2-3-4-5-6-7-12-19-13-14-20(17(19)21)15-8-10-16(11-9-15)24(18,22)23/h8-11H,2-7,12-14H2,1H3
InChIKeyYHXCWMWAKARJLV-UHFFFAOYSA-N
MW372.92 g/mol
LogP4.22
Rot. Bonds9

About 4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride

4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride (PubChem CID 19711294) has the molecular formula C17H25ClN2O3S and a molecular weight of 372.92 g/mol. Its IUPAC name is 4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride.

Molecular Properties

Compound Name4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride
PubChem CID19711294
Molecular FormulaC17H25ClN2O3S
Molecular Weight372.92 g/mol
Exact Mass372.13
IUPAC Name4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride
SMILESCCCCCCCCN1CCN(c2ccc(S(=O)(=O)Cl)cc2)C1=O
InChIInChI=1S/C17H25ClN2O3S/c1-2-3-4-5-6-7-12-19-13-14-20(17(19)21)15-8-10-16(11-9-15)24(18,22)23/h8-11H,2-7,12-14H2,1H3
InChIKeyYHXCWMWAKARJLV-UHFFFAOYSA-N
XLogP4.22
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.92
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-dioctylimidazolidin-2-one
CID 19987667
(3,4-dimethoxyphenyl) 4-(3-butyl-2-oxoimidazolidin-1-yl)benzenesulfonate
CID 71532410
N-[4-(1-amino-2-oxo-2-pyrrolidin-1-ylethyl)cyclohexyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 10231361
1-octylpyrazole-4-sulfonyl chloride
CID 60912236
(3-bromo-5-methylphenyl) 4-(2-oxo-3-pentylimidazolidin-1-yl)benzenesulfonate;(3-chloro-5-methylphenyl) 4-(2-oxo-3-pentylimidazolidin-1-yl)benzenesulfonate;(3-fluoro-5-methylphenyl) 4-(2-oxo-3-pentylimidazolidin-1-yl)benzenesulfonate
CID 158042419
1-butyl-3-(1-methylsulfonyl-2,3-dihydroindol-5-yl)imidazolidin-2-one
CID 3929920
4-(3-butyl-2-oxoimidazolidin-1-yl)-N-(3-hydroxy-4-methoxy-5-methylphenyl)benzenesulfonamide
CID 123227789
1,3-dibutylimidazolidin-2-one
CID 20887
(3-methoxyphenyl) 4-(2-oxo-3-propylimidazolidin-1-yl)benzenesulfonate
CID 88909659
(3-methylphenyl) 4-(2-oxo-3-propylimidazolidin-1-yl)benzenesulfonate
CID 53372742
N-[4-[2-[[2-hydroxy-2-(1H-indol-5-yl)ethyl]amino]ethyl]phenyl]-4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonamide
CID 19711333
1-ethyl-3-(4-fluorophenyl)imidazolidin-2-one
CID 23201880

Frequently Asked Questions

What is the IUPAC name of 4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride?
The IUPAC name of 4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride (CID 19711294) is 4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride.
What is the SMILES notation for 4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride?
The canonical SMILES for 4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride is CCCCCCCCN1CCN(c2ccc(S(=O)(=O)Cl)cc2)C1=O.
What is the InChIKey of 4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride?
The InChIKey is YHXCWMWAKARJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O3S/c1-2-3-4-5-6-7-12-19-13-14-20(17(19)21)15-8-10-16(11-9-15)24(18,22)23/h8-11H,2-7,12-14H2,1H3.
What are the key properties of 4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride?
4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride has a molecular weight of 372.92 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-octyl-2-oxoimidazolidin-1-yl)benzenesulfonyl chloride is sourced from PubChem (CID 19711294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).