N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide

C20H27ClN2O3S — CID 71246706

IUPACN-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1Cl)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H27ClN2O3S/c1-20(2,23-27(25,26)17-6-4-3-5-16(17)21)19(24)22-18-14-8-12-7-13(10-14)11-15(18)9-12/h3-6,12-15,18,23H,7-11H2,1-2H3,(H,22,24)
InChIKeyBXMXQPXRYNWLTE-UHFFFAOYSA-N
MW410.97 g/mol
LogP3.34
Rot. Bonds5

About N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide

N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide (PubChem CID 71246706) has the molecular formula C20H27ClN2O3S and a molecular weight of 410.97 g/mol. Its IUPAC name is N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide.

Molecular Properties

Compound NameN-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide
PubChem CID71246706
Molecular FormulaC20H27ClN2O3S
Molecular Weight410.97 g/mol
Exact Mass410.14
IUPAC NameN-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide
SMILESCC(C)(NS(=O)(=O)c1ccccc1Cl)C(=O)NC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C20H27ClN2O3S/c1-20(2,23-27(25,26)17-6-4-3-5-16(17)21)19(24)22-18-14-8-12-7-13(10-14)11-15(18)9-12/h3-6,12-15,18,23H,7-11H2,1-2H3,(H,22,24)
InChIKeyBXMXQPXRYNWLTE-UHFFFAOYSA-N
XLogP3.34
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.97
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide?
The IUPAC name of N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide (CID 71246706) is N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide.
What is the SMILES notation for N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide?
The canonical SMILES for N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide is CC(C)(NS(=O)(=O)c1ccccc1Cl)C(=O)NC1C2CC3CC(C2)CC1C3.
What is the InChIKey of N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide?
The InChIKey is BXMXQPXRYNWLTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN2O3S/c1-20(2,23-27(25,26)17-6-4-3-5-16(17)21)19(24)22-18-14-8-12-7-13(10-14)11-15(18)9-12/h3-6,12-15,18,23H,7-11H2,1-2H3,(H,22,24).
What are the key properties of N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide?
N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide has a molecular weight of 410.97 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-adamantyl)-2-[(2-chlorophenyl)sulfonylamino]-2-methylpropanamide is sourced from PubChem (CID 71246706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).