N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide

C18H20ClN3O3S — CID 146171289

IUPACN-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1cncc(N2C(=O)c3ccc(Cl)cc3C2(C)C)c1
InChIInChI=1S/C18H20ClN3O3S/c1-11(21-26(4,24)25)12-7-14(10-20-9-12)22-17(23)15-6-5-13(19)8-16(15)18(22,2)3/h5-11,21H,1-4H3/t11-/m1/s1
InChIKeyLXULFFHUCXHBBS-LLVKDONJSA-N
MW393.90 g/mol
LogP3.24
Rot. Bonds4

About N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide

N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide (PubChem CID 146171289) has the molecular formula C18H20ClN3O3S and a molecular weight of 393.90 g/mol. Its IUPAC name is N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide
PubChem CID146171289
Molecular FormulaC18H20ClN3O3S
Molecular Weight393.90 g/mol
Exact Mass393.09
IUPAC NameN-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide
SMILESC[C@@H](NS(C)(=O)=O)c1cncc(N2C(=O)c3ccc(Cl)cc3C2(C)C)c1
InChIInChI=1S/C18H20ClN3O3S/c1-11(21-26(4,24)25)12-7-14(10-20-9-12)22-17(23)15-6-5-13(19)8-16(15)18(22,2)3/h5-11,21H,1-4H3/t11-/m1/s1
InChIKeyLXULFFHUCXHBBS-LLVKDONJSA-N
XLogP3.24
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.90
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide?
The IUPAC name of N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide (CID 146171289) is N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide?
The canonical SMILES for N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide is C[C@@H](NS(C)(=O)=O)c1cncc(N2C(=O)c3ccc(Cl)cc3C2(C)C)c1.
What is the InChIKey of N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide?
The InChIKey is LXULFFHUCXHBBS-LLVKDONJSA-N. The full InChI is InChI=1S/C18H20ClN3O3S/c1-11(21-26(4,24)25)12-7-14(10-20-9-12)22-17(23)15-6-5-13(19)8-16(15)18(22,2)3/h5-11,21H,1-4H3/t11-/m1/s1.
What are the key properties of N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide?
N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide has a molecular weight of 393.90 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxoisoindol-2-yl)-3-pyridinyl]ethyl]methanesulfonamide is sourced from PubChem (CID 146171289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).