2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide

C21H30Cl2N2O3S — CID 163412022

IUPAC2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide
SMILESCCC1CC2CCC(NC(=O)C(C)(C)NS(=O)(=O)c3c(Cl)cccc3Cl)C(C1)C2
InChIInChI=1S/C21H30Cl2N2O3S/c1-4-13-10-14-8-9-18(15(11-13)12-14)24-20(26)21(2,3)25-29(27,28)19-16(22)6-5-7-17(19)23/h5-7,13-15,18,25H,4,8-12H2,1-3H3,(H,24,26)
InChIKeyABHRVNCSLPJEGB-UHFFFAOYSA-N
MW461.46 g/mol
LogP4.77
Rot. Bonds6

About 2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide

2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide (PubChem CID 163412022) has the molecular formula C21H30Cl2N2O3S and a molecular weight of 461.46 g/mol. Its IUPAC name is 2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide.

Molecular Properties

Compound Name2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide
PubChem CID163412022
Molecular FormulaC21H30Cl2N2O3S
Molecular Weight461.46 g/mol
Exact Mass460.14
IUPAC Name2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide
SMILESCCC1CC2CCC(NC(=O)C(C)(C)NS(=O)(=O)c3c(Cl)cccc3Cl)C(C1)C2
InChIInChI=1S/C21H30Cl2N2O3S/c1-4-13-10-14-8-9-18(15(11-13)12-14)24-20(26)21(2,3)25-29(27,28)19-16(22)6-5-7-17(19)23/h5-7,13-15,18,25H,4,8-12H2,1-3H3,(H,24,26)
InChIKeyABHRVNCSLPJEGB-UHFFFAOYSA-N
XLogP4.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.46
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide?
The IUPAC name of 2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide (CID 163412022) is 2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide.
What is the SMILES notation for 2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide?
The canonical SMILES for 2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide is CCC1CC2CCC(NC(=O)C(C)(C)NS(=O)(=O)c3c(Cl)cccc3Cl)C(C1)C2.
What is the InChIKey of 2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide?
The InChIKey is ABHRVNCSLPJEGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30Cl2N2O3S/c1-4-13-10-14-8-9-18(15(11-13)12-14)24-20(26)21(2,3)25-29(27,28)19-16(22)6-5-7-17(19)23/h5-7,13-15,18,25H,4,8-12H2,1-3H3,(H,24,26).
What are the key properties of 2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide?
2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide has a molecular weight of 461.46 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dichlorophenyl)sulfonylamino]-N-(7-ethyl-2-bicyclo[3.3.1]nonanyl)-2-methylpropanamide is sourced from PubChem (CID 163412022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).