N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide

C24H29ClF2N2O3S — CID 69126016

IUPACN-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)c1c(CF)cccc1CF
InChIInChI=1S/C24H29ClF2N2O3S/c25-23-20(16-29-9-1-2-10-29)7-4-8-22(23)32-21-11-17(12-21)15-28-33(30,31)24-18(13-26)5-3-6-19(24)14-27/h3-8,17,21,28H,1-2,9-16H2
InChIKeyHBHYCQDODOIDHI-UHFFFAOYSA-N
MW499.02 g/mol
LogP5.01
Rot. Bonds10

About N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide

N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide (PubChem CID 69126016) has the molecular formula C24H29ClF2N2O3S and a molecular weight of 499.02 g/mol. Its IUPAC name is N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide
PubChem CID69126016
Molecular FormulaC24H29ClF2N2O3S
Molecular Weight499.02 g/mol
Exact Mass498.16
IUPAC NameN-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)c1c(CF)cccc1CF
InChIInChI=1S/C24H29ClF2N2O3S/c25-23-20(16-29-9-1-2-10-29)7-4-8-22(23)32-21-11-17(12-21)15-28-33(30,31)24-18(13-26)5-3-6-19(24)14-27/h3-8,17,21,28H,1-2,9-16H2
InChIKeyHBHYCQDODOIDHI-UHFFFAOYSA-N
XLogP5.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.02
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide 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-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide (CID 69126016) is N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide is O=S(=O)(NCC1CC(Oc2cccc(CN3CCCC3)c2Cl)C1)c1c(CF)cccc1CF.
What is the InChIKey of N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide?
The InChIKey is HBHYCQDODOIDHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClF2N2O3S/c25-23-20(16-29-9-1-2-10-29)7-4-8-22(23)32-21-11-17(12-21)15-28-33(30,31)24-18(13-26)5-3-6-19(24)14-27/h3-8,17,21,28H,1-2,9-16H2.
What are the key properties of N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide?
N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide has a molecular weight of 499.02 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-chloro-3-(pyrrolidin-1-ylmethyl)phenoxy]cyclobutyl]methyl]-2,6-bis(fluoromethyl)benzenesulfonamide is sourced from PubChem (CID 69126016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).