N-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

C21H32N2O3S — CID 2202990

IUPACN-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCCC2)C2CCCCC2)c(C)c1
InChIInChI=1S/C21H32N2O3S/c1-16-13-17(2)21(18(3)14-16)27(25,26)23(19-9-5-4-6-10-19)15-20(24)22-11-7-8-12-22/h13-14,19H,4-12,15H2,1-3H3
InChIKeyHXGDILCAJBFGPK-UHFFFAOYSA-N
MW392.57 g/mol
LogP3.56
Rot. Bonds5

About N-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide

N-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (PubChem CID 2202990) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is N-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
PubChem CID2202990
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC NameN-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCCC2)C2CCCCC2)c(C)c1
InChIInChI=1S/C21H32N2O3S/c1-16-13-17(2)21(18(3)14-16)27(25,26)23(19-9-5-4-6-10-19)15-20(24)22-11-7-8-12-22/h13-14,19H,4-12,15H2,1-3H3
InChIKeyHXGDILCAJBFGPK-UHFFFAOYSA-N
XLogP3.56
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of N-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide (CID 2202990) is N-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for N-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCCC2)C2CCCCC2)c(C)c1.
What is the InChIKey of N-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
The InChIKey is HXGDILCAJBFGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-16-13-17(2)21(18(3)14-16)27(25,26)23(19-9-5-4-6-10-19)15-20(24)22-11-7-8-12-22/h13-14,19H,4-12,15H2,1-3H3.
What are the key properties of N-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide?
N-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide has a molecular weight of 392.57 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2,4,6-trimethyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 2202990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).