N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide

C23H36N2O4S — CID 146711957

IUPACN-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1C(O)CCN1c1ccc(S(=O)(=O)NC2CCCCCCCCCCCC2)cc1
InChIInChI=1S/C23H36N2O4S/c26-22-17-18-25(23(22)27)20-13-15-21(16-14-20)30(28,29)24-19-11-9-7-5-3-1-2-4-6-8-10-12-19/h13-16,19,22,24,26H,1-12,17-18H2
InChIKeyRBYFTNACOPSFLR-UHFFFAOYSA-N
MW436.62 g/mol
LogP4.13
Rot. Bonds4

About N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide

N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 146711957) has the molecular formula C23H36N2O4S and a molecular weight of 436.62 g/mol. Its IUPAC name is N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID146711957
Molecular FormulaC23H36N2O4S
Molecular Weight436.62 g/mol
Exact Mass436.24
IUPAC NameN-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESO=C1C(O)CCN1c1ccc(S(=O)(=O)NC2CCCCCCCCCCCC2)cc1
InChIInChI=1S/C23H36N2O4S/c26-22-17-18-25(23(22)27)20-13-15-21(16-14-20)30(28,29)24-19-11-9-7-5-3-1-2-4-6-8-10-12-19/h13-16,19,22,24,26H,1-12,17-18H2
InChIKeyRBYFTNACOPSFLR-UHFFFAOYSA-N
XLogP4.13
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.62
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclooctyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 18096700
N-cyclododecyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 146022850
N-cyclohexyl-4-(2,5-dioxopyrrolidin-1-yl)benzenesulfonamide
CID 22695550
N-cycloheptyl-4-(1,3-dioxo-6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-2-yl)benzenesulfonamide
CID 17139394
4-(azepan-1-ylsulfonyl)-N-cyclohexylbenzenesulfonamide
CID 1167072
N-cyclopropyl-4-(2-oxopyrrolidin-1-yl)benzenesulfonamide
CID 22695508
4-amino-N-cyclodecylbenzenesulfonamide
CID 90455423
sodium 4-(cyclohexylsulfamoyl)benzoate
CID 122705986
N-cycloheptyl-4-(methylamino)benzenesulfonamide
CID 15049673
(3R)-N-[4-(cyclohexylsulfamoyl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1249284
1-N-cyclohexyl-4-N,4-N-dimethylbenzene-1,4-disulfonamide
CID 859646
4-(aminomethyl)-N-cyclohexylbenzenesulfonamide
CID 16781327

Frequently Asked Questions

What is the IUPAC name of N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 146711957) is N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide is O=C1C(O)CCN1c1ccc(S(=O)(=O)NC2CCCCCCCCCCCC2)cc1.
What is the InChIKey of N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is RBYFTNACOPSFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36N2O4S/c26-22-17-18-25(23(22)27)20-13-15-21(16-14-20)30(28,29)24-19-11-9-7-5-3-1-2-4-6-8-10-12-19/h13-16,19,22,24,26H,1-12,17-18H2.
What are the key properties of N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide?
N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 436.62 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclotridecyl-4-(3-hydroxy-2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 146711957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).