N-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide

C19H23ClFNO4S — CID 134158100

IUPACN-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide
SMILESCC(C)C[C@@H](COc1cccc(F)c1Oc1ccc(Cl)cc1)NS(C)(=O)=O
InChIInChI=1S/C19H23ClFNO4S/c1-13(2)11-15(22-27(3,23)24)12-25-18-6-4-5-17(21)19(18)26-16-9-7-14(20)8-10-16/h4-10,13,15,22H,11-12H2,1-3H3/t15-/m0/s1
InChIKeySDDJGGLLEQBTPN-HNNXBMFYSA-N
MW415.91 g/mol
LogP4.61
Rot. Bonds9

About N-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide

N-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide (PubChem CID 134158100) has the molecular formula C19H23ClFNO4S and a molecular weight of 415.91 g/mol. Its IUPAC name is N-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide
PubChem CID134158100
Molecular FormulaC19H23ClFNO4S
Molecular Weight415.91 g/mol
Exact Mass415.10
IUPAC NameN-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide
SMILESCC(C)C[C@@H](COc1cccc(F)c1Oc1ccc(Cl)cc1)NS(C)(=O)=O
InChIInChI=1S/C19H23ClFNO4S/c1-13(2)11-15(22-27(3,23)24)12-25-18-6-4-5-17(21)19(18)26-16-9-7-14(20)8-10-16/h4-10,13,15,22H,11-12H2,1-3H3/t15-/m0/s1
InChIKeySDDJGGLLEQBTPN-HNNXBMFYSA-N
XLogP4.61
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.91
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide 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 N-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide?
The IUPAC name of N-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide (CID 134158100) is N-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide?
The canonical SMILES for N-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide is CC(C)C[C@@H](COc1cccc(F)c1Oc1ccc(Cl)cc1)NS(C)(=O)=O.
What is the InChIKey of N-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide?
The InChIKey is SDDJGGLLEQBTPN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23ClFNO4S/c1-13(2)11-15(22-27(3,23)24)12-25-18-6-4-5-17(21)19(18)26-16-9-7-14(20)8-10-16/h4-10,13,15,22H,11-12H2,1-3H3/t15-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide?
N-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide has a molecular weight of 415.91 g/mol, XLogP of 4.61, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(4-chlorophenoxy)-3-fluorophenoxy]-4-methylpentan-2-yl]methanesulfonamide is sourced from PubChem (CID 134158100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).