4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide

C18H26N2O4S — CID 133164771

IUPAC4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H26N2O4S/c1-3-5-6-14(4-2)13-19-25(23,24)16-9-7-15(8-10-16)20-17(21)11-12-18(20)22/h7-10,14,19H,3-6,11-13H2,1-2H3
InChIKeyOZFFVDCTTUGSDA-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.83
Rot. Bonds9

About 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide

4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide (PubChem CID 133164771) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide
PubChem CID133164771
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide
SMILESCCCCC(CC)CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1
InChIInChI=1S/C18H26N2O4S/c1-3-5-6-14(4-2)13-19-25(23,24)16-9-7-15(8-10-16)20-17(21)11-12-18(20)22/h7-10,14,19H,3-6,11-13H2,1-2H3
InChIKeyOZFFVDCTTUGSDA-UHFFFAOYSA-N
XLogP2.83
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107816801
N-(2-ethylhexyl)-1,4-dimethyl-2,3-dioxoquinoxaline-6-sulfonamide
CID 20858663
N-(2-ethylhexyl)-4-(methanesulfonamido)benzenesulfonamide
CID 20769759
N-[(2S)-2-ethylhexyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 35396653
N-(2-ethylhexyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 46457555
4-amino-N-(2-ethylhexyl)-3-fluorobenzenesulfonamide
CID 107819740
3-amino-N-(2-ethylhexyl)-4-methylbenzenesulfonamide
CID 107816800
N-(2-ethylhexyl)-3-methylsulfonylbenzenesulfonamide
CID 42955218
N-(2-ethylhexyl)pyridine-3-sulfonamide
CID 60548932
N-(2-ethylhexyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-sulfonamide
CID 51307194
3-(aminomethyl)-N-(2-ethylhexyl)benzenesulfonamide
CID 107818703
4-amino-N-(2-ethylhexyl)-3-methoxybenzenesulfonamide
CID 107819726

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide?
The IUPAC name of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide (CID 133164771) is 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide.
What is the SMILES notation for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide?
The canonical SMILES for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide is CCCCC(CC)CNS(=O)(=O)c1ccc(N2C(=O)CCC2=O)cc1.
What is the InChIKey of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide?
The InChIKey is OZFFVDCTTUGSDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-3-5-6-14(4-2)13-19-25(23,24)16-9-7-15(8-10-16)20-17(21)11-12-18(20)22/h7-10,14,19H,3-6,11-13H2,1-2H3.
What are the key properties of 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide?
4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide has a molecular weight of 366.48 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dioxopyrrolidin-1-yl)-N-(2-ethylhexyl)benzenesulfonamide is sourced from PubChem (CID 133164771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).