N-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide

C31H27ClFN3O4S — CID 23017311

IUPACN-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C31H27ClFN3O4S/c32-28-20-27(11-12-29(28)33)41(38,39)35-31(37)13-10-25-9-7-23(21-36-16-3-15-34-36)19-30(25)40-17-14-22-6-8-24-4-1-2-5-26(24)18-22/h1-9,11-12,15-16,18-20H,10,13-14,17,21H2,(H,35,37)
InChIKeyPFIDKAWCTPWFID-UHFFFAOYSA-N
MW592.09 g/mol
LogP5.94
Rot. Bonds11

About N-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide

N-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide (PubChem CID 23017311) has the molecular formula C31H27ClFN3O4S and a molecular weight of 592.09 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide
PubChem CID23017311
Molecular FormulaC31H27ClFN3O4S
Molecular Weight592.09 g/mol
Exact Mass591.14
IUPAC NameN-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide
SMILESO=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1ccc(F)c(Cl)c1
InChIInChI=1S/C31H27ClFN3O4S/c32-28-20-27(11-12-29(28)33)41(38,39)35-31(37)13-10-25-9-7-23(21-36-16-3-15-34-36)19-30(25)40-17-14-22-6-8-24-4-1-2-5-26(24)18-22/h1-9,11-12,15-16,18-20H,10,13-14,17,21H2,(H,35,37)
InChIKeyPFIDKAWCTPWFID-UHFFFAOYSA-N
XLogP5.94
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500592.09
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide 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-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide (CID 23017311) is N-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide is O=C(CCc1ccc(Cn2cccn2)cc1OCCc1ccc2ccccc2c1)NS(=O)(=O)c1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
The InChIKey is PFIDKAWCTPWFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27ClFN3O4S/c32-28-20-27(11-12-29(28)33)41(38,39)35-31(37)13-10-25-9-7-23(21-36-16-3-15-34-36)19-30(25)40-17-14-22-6-8-24-4-1-2-5-26(24)18-22/h1-9,11-12,15-16,18-20H,10,13-14,17,21H2,(H,35,37).
What are the key properties of N-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide?
N-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide has a molecular weight of 592.09 g/mol, XLogP of 5.94, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)sulfonyl-3-[2-(2-naphthalen-2-ylethoxy)-4-(pyrazol-1-ylmethyl)phenyl]propanamide is sourced from PubChem (CID 23017311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).