N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide

C16H14ClF3N2O4S — CID 56540594

IUPACN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1
InChIInChI=1S/C16H14ClF3N2O4S/c17-11-3-6-14(26-9-16(18,19)20)13(8-11)22-15(23)7-10-1-4-12(5-2-10)27(21,24)25/h1-6,8H,7,9H2,(H,22,23)(H2,21,24,25)
InChIKeyYUIPPIGACNQQJA-UHFFFAOYSA-N
MW422.81 g/mol
LogP3.11
Rot. Bonds6

About N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide

N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide (PubChem CID 56540594) has the molecular formula C16H14ClF3N2O4S and a molecular weight of 422.81 g/mol. Its IUPAC name is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide
PubChem CID56540594
Molecular FormulaC16H14ClF3N2O4S
Molecular Weight422.81 g/mol
Exact Mass422.03
IUPAC NameN-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide
SMILESNS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1
InChIInChI=1S/C16H14ClF3N2O4S/c17-11-3-6-14(26-9-16(18,19)20)13(8-11)22-15(23)7-10-1-4-12(5-2-10)27(21,24)25/h1-6,8H,7,9H2,(H,22,23)(H2,21,24,25)
InChIKeyYUIPPIGACNQQJA-UHFFFAOYSA-N
XLogP3.11
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.81
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide?
The IUPAC name of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide (CID 56540594) is N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide?
The canonical SMILES for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide is NS(=O)(=O)c1ccc(CC(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)cc1.
What is the InChIKey of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide?
The InChIKey is YUIPPIGACNQQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3N2O4S/c17-11-3-6-14(26-9-16(18,19)20)13(8-11)22-15(23)7-10-1-4-12(5-2-10)27(21,24)25/h1-6,8H,7,9H2,(H,22,23)(H2,21,24,25).
What are the key properties of N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide?
N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide has a molecular weight of 422.81 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-2-(4-sulfamoylphenyl)acetamide is sourced from PubChem (CID 56540594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).