5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide

C24H25Cl2FN2O5S — CID 118110946

IUPAC5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1F
InChIInChI=1S/C24H25Cl2FN2O5S/c1-35(32,33)28-23(30)20-11-19(15-2-3-15)22(12-21(20)27)34-13-14-4-6-29(7-5-14)24(31)16-8-17(25)10-18(26)9-16/h8-12,14-15H,2-7,13H2,1H3,(H,28,30)
InChIKeySREGSGWKZFYIDY-UHFFFAOYSA-N
MW543.44 g/mol
LogP4.63
Rot. Bonds7

About 5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide

5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide (PubChem CID 118110946) has the molecular formula C24H25Cl2FN2O5S and a molecular weight of 543.44 g/mol. Its IUPAC name is 5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide.

Molecular Properties

Compound Name5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
PubChem CID118110946
Molecular FormulaC24H25Cl2FN2O5S
Molecular Weight543.44 g/mol
Exact Mass542.08
IUPAC Name5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
SMILESCS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1F
InChIInChI=1S/C24H25Cl2FN2O5S/c1-35(32,33)28-23(30)20-11-19(15-2-3-15)22(12-21(20)27)34-13-14-4-6-29(7-5-14)24(31)16-8-17(25)10-18(26)9-16/h8-12,14-15H,2-7,13H2,1H3,(H,28,30)
InChIKeySREGSGWKZFYIDY-UHFFFAOYSA-N
XLogP4.63
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500543.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide with MolForge

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Related Compounds

Gdc-0310
CID 118110531
Nav1.7-IN-6
CID 118120526
5-cyclopropyl-N-cyclopropylsulfonyl-4-[(3R)-1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-3-yl]oxy-2-fluorobenzamide
CID 91799679
5-cyclopropyl-4-[[1-[2-(3,5-dichlorophenyl)propan-2-yl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118110608
4-((1-benzhydrylpiperidin-4-yl)methoxy)-5-cyclopropyl-2-fluoro-N-(methylsulfonyl)benzamide
CID 72549135
5-cyclopropyl-4-({1-[(1R)-1-(3,5-dichlorophenyl)ethyl]piperidin-4-yl}methoxy)-2-fluoro-N-methanesulfonylbenzamide
CID 118110503
5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-4-yl]methoxy]benzamide
CID 118110893
5-cyclopropyl-4-[[1-[(3,5-dichlorophenyl)methyl]piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide
CID 118111314
4-((1-benzylpiperidin-4-yl)methoxy)-5-cyclopropyl-2-fluoro-N-(methylsulfonyl)benzamide
CID 118120219
4-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methoxy]-5-cyclopropyl-2-fluoro-N-methylsulfonylbenzamide
CID 118120539
4-((1-(2-chloro-5-(trifluoromethyl)benzyl)piperidin-4-yl)methoxy)-5-cyclopropyl-2-fluoro-N-(methylsulfonyl)benzamide
CID 118120545
(R)-4-((1-(3-chlorobenzyl)piperidin-3-yl)oxy)-5-cyclopropyl-N-(cyclopropylsulfonyl)-2-fluorobenzamide
CID 118110591

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide?
The IUPAC name of 5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide (CID 118110946) is 5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide.
What is the SMILES notation for 5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide?
The canonical SMILES for 5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide is CS(=O)(=O)NC(=O)c1cc(C2CC2)c(OCC2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)cc1F.
What is the InChIKey of 5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide?
The InChIKey is SREGSGWKZFYIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2FN2O5S/c1-35(32,33)28-23(30)20-11-19(15-2-3-15)22(12-21(20)27)34-13-14-4-6-29(7-5-14)24(31)16-8-17(25)10-18(26)9-16/h8-12,14-15H,2-7,13H2,1H3,(H,28,30).
What are the key properties of 5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide?
5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide has a molecular weight of 543.44 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-[[1-(3,5-dichlorobenzoyl)piperidin-4-yl]methoxy]-2-fluoro-N-methylsulfonylbenzamide is sourced from PubChem (CID 118110946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).