N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide

C19H26N2O5S — CID 100608093

IUPACN-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1N1C(=O)CCC1=O
InChIInChI=1S/C19H26N2O5S/c1-26-17-10-9-15(13-16(17)21-18(22)11-12-19(21)23)27(24,25)20-14-7-5-3-2-4-6-8-14/h9-10,13-14,20H,2-8,11-12H2,1H3
InChIKeyYNICSXWRAGYLQK-UHFFFAOYSA-N
MW394.49 g/mol
LogP2.74
Rot. Bonds5

About N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide

N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide (PubChem CID 100608093) has the molecular formula C19H26N2O5S and a molecular weight of 394.49 g/mol. Its IUPAC name is N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
PubChem CID100608093
Molecular FormulaC19H26N2O5S
Molecular Weight394.49 g/mol
Exact Mass394.16
IUPAC NameN-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1N1C(=O)CCC1=O
InChIInChI=1S/C19H26N2O5S/c1-26-17-10-9-15(13-16(17)21-18(22)11-12-19(21)23)27(24,25)20-14-7-5-3-2-4-6-8-14/h9-10,13-14,20H,2-8,11-12H2,1H3
InChIKeyYNICSXWRAGYLQK-UHFFFAOYSA-N
XLogP2.74
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-cyclohexyl-4-methoxybenzenesulfonamide
CID 43105855
N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 146022850
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695550
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100556461
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylphenyl)benzenesulfonamide
CID 100508329
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(4-pyrrolidin-1-ylsulfonylphenyl)benzenesulfonamide
CID 100512130
4-amino-N-cyclopentyl-3-methoxybenzenesulfonamide
CID 81437928
N-[2-(dimethylamino)ethyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100758452
1-[2-methoxy-5-(3-methylpiperidin-1-yl)sulfonylphenyl]pyrrolidine-2,5-dione
CID 133200153
N-[4-(cyanomethyl)phenyl]-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100637490
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(3-prop-2-enoxyphenyl)benzenesulfonamide
CID 100608324
3-(2,5-dioxopyrrolidin-1-yl)-4-methoxy-N-(1-phenoxypropan-2-yl)benzenesulfonamide
CID 133235289

Frequently Asked Questions

What is the IUPAC name of N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide?
The IUPAC name of N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide (CID 100608093) is N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide?
The canonical SMILES for N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1N1C(=O)CCC1=O.
What is the InChIKey of N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide?
The InChIKey is YNICSXWRAGYLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O5S/c1-26-17-10-9-15(13-16(17)21-18(22)11-12-19(21)23)27(24,25)20-14-7-5-3-2-4-6-8-14/h9-10,13-14,20H,2-8,11-12H2,1H3.
What are the key properties of N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide?
N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide has a molecular weight of 394.49 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide is sourced from PubChem (CID 100608093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).