N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide

C19H18ClF3N2O3S — CID 146649724

IUPACN-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(C3(C(F)(F)F)CC3)cc2)c(Cl)c1
InChIInChI=1S/C19H18ClF3N2O3S/c1-29(27,28)25-15-7-4-13(16(20)10-15)11-24-17(26)12-2-5-14(6-3-12)18(8-9-18)19(21,22)23/h2-7,10,25H,8-9,11H2,1H3,(H,24,26)
InChIKeyYZLXIQKGMBAIIA-UHFFFAOYSA-N
MW446.88 g/mol
LogP4.24
Rot. Bonds6

About N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide

N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 146649724) has the molecular formula C19H18ClF3N2O3S and a molecular weight of 446.88 g/mol. Its IUPAC name is N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound NameN-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID146649724
Molecular FormulaC19H18ClF3N2O3S
Molecular Weight446.88 g/mol
Exact Mass446.07
IUPAC NameN-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESCS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(C3(C(F)(F)F)CC3)cc2)c(Cl)c1
InChIInChI=1S/C19H18ClF3N2O3S/c1-29(27,28)25-15-7-4-13(16(20)10-15)11-24-17(26)12-2-5-14(6-3-12)18(8-9-18)19(21,22)23/h2-7,10,25H,8-9,11H2,1H3,(H,24,26)
InChIKeyYZLXIQKGMBAIIA-UHFFFAOYSA-N
XLogP4.24
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.88
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide 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-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 146649724) is N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide is CS(=O)(=O)Nc1ccc(CNC(=O)c2ccc(C3(C(F)(F)F)CC3)cc2)c(Cl)c1.
What is the InChIKey of N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is YZLXIQKGMBAIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClF3N2O3S/c1-29(27,28)25-15-7-4-13(16(20)10-15)11-24-17(26)12-2-5-14(6-3-12)18(8-9-18)19(21,22)23/h2-7,10,25H,8-9,11H2,1H3,(H,24,26).
What are the key properties of N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide?
N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 446.88 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-chloro-4-(methanesulfonamido)phenyl]methyl]-4-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 146649724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).