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

C16H20N2O4S — CID 22695550

IUPACN-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H20N2O4S/c19-15-10-11-16(20)18(15)13-6-8-14(9-7-13)23(21,22)17-12-4-2-1-3-5-12/h6-9,12,17H,1-5,10-11H2
InChIKeyKTQFMTJUOLSGCK-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.95
Rot. Bonds4

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

N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 22695550) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID22695550
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC NameN-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1CCC(=O)N1c1ccc(S(=O)(=O)NC2CCCCC2)cc1
InChIInChI=1S/C16H20N2O4S/c19-15-10-11-16(20)18(15)13-6-8-14(9-7-13)23(21,22)17-12-4-2-1-3-5-12/h6-9,12,17H,1-5,10-11H2
InChIKeyKTQFMTJUOLSGCK-UHFFFAOYSA-N
XLogP1.95
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.95
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

N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 146022850
N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096700
N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide
CID 17139394
N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 146711957
N-cyclopentyloxy-4-(2,6-dioxopiperidin-1-yl)benzenesulfonamide
CID 110666980
N-cyclooctyl-3-(2,5-dioxopyrrolidin-1-yl)-4-methoxybenzenesulfonamide
CID 100608093
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
N-cyclohexyl-4-[2-(2-oxopyrrolidin-1-yl)ethyl]benzenesulfonamide
CID 110407179

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide (CID 22695550) is N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is O=C1CCC(=O)N1c1ccc(S(=O)(=O)NC2CCCCC2)cc1.
What is the InChIKey of N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is KTQFMTJUOLSGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c19-15-10-11-16(20)18(15)13-6-8-14(9-7-13)23(21,22)17-12-4-2-1-3-5-12/h6-9,12,17H,1-5,10-11H2.
What are the key properties of N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide?
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 336.41 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 22695550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).