N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide

C13H16ClF3N2O3S — CID 113063486

IUPACN-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
SMILESCCS(=O)(=O)NCCN(C(C)=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O3S/c1-3-23(21,22)18-6-7-19(9(2)20)10-4-5-12(14)11(8-10)13(15,16)17/h4-5,8,18H,3,6-7H2,1-2H3
InChIKeyINKORXSYYJMRHG-UHFFFAOYSA-N
MW372.80 g/mol
LogP2.65
Rot. Bonds6

About N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide

N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide (PubChem CID 113063486) has the molecular formula C13H16ClF3N2O3S and a molecular weight of 372.80 g/mol. Its IUPAC name is N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
PubChem CID113063486
Molecular FormulaC13H16ClF3N2O3S
Molecular Weight372.80 g/mol
Exact Mass372.05
IUPAC NameN-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide
SMILESCCS(=O)(=O)NCCN(C(C)=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C13H16ClF3N2O3S/c1-3-23(21,22)18-6-7-19(9(2)20)10-4-5-12(14)11(8-10)13(15,16)17/h4-5,8,18H,3,6-7H2,1-2H3
InChIKeyINKORXSYYJMRHG-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.80
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,4-dichlorophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113063583
N-(3-chloro-4-methoxyphenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113060257
2-[N-acetyl-4-chloro-3-(trifluoromethyl)anilino]-N-propan-2-ylacetamide
CID 113179265
N-[2-(methanesulfonamido)ethyl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 113061531
N-(4-bromo-3-methylphenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062931
N-[2-(ethylsulfonylamino)ethyl]-N-(4-propan-2-yloxyphenyl)acetamide
CID 113061132
N-[2-(methanesulfonamido)ethyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 113061471
N-(2,4-difluorophenyl)-N-[2-(ethylsulfonylamino)ethyl]acetamide
CID 113063351
N-[2-(benzenesulfonamido)ethyl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 113060118
N-(3-bromophenyl)-N-[2-(propylsulfonylamino)ethyl]acetamide
CID 113062819
N-[2-(ethylsulfonylamino)ethyl]-N-[4-(4-methylpiperazin-1-yl)phenyl]acetamide
CID 113062527
N-(3-chlorophenyl)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 113059569

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The IUPAC name of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide (CID 113063486) is N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide.
What is the SMILES notation for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The canonical SMILES for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide is CCS(=O)(=O)NCCN(C(C)=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide?
The InChIKey is INKORXSYYJMRHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClF3N2O3S/c1-3-23(21,22)18-6-7-19(9(2)20)10-4-5-12(14)11(8-10)13(15,16)17/h4-5,8,18H,3,6-7H2,1-2H3.
What are the key properties of N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide?
N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide has a molecular weight of 372.80 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(trifluoromethyl)phenyl]-N-[2-(ethylsulfonylamino)ethyl]acetamide is sourced from PubChem (CID 113063486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).