N-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide

C10H10ClF3N2O4S — CID 126824127

IUPACN-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O4S/c1-15-21(18,19)5-9(17)16-7-4-6(11)2-3-8(7)20-10(12,13)14/h2-4,15H,5H2,1H3,(H,16,17)
InChIKeyXNSOQNMSHKXANO-UHFFFAOYSA-N
MW346.71 g/mol
LogP1.73
Rot. Bonds5

About N-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide

N-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide (PubChem CID 126824127) has the molecular formula C10H10ClF3N2O4S and a molecular weight of 346.71 g/mol. Its IUPAC name is N-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide.

Molecular Properties

Compound NameN-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide
PubChem CID126824127
Molecular FormulaC10H10ClF3N2O4S
Molecular Weight346.71 g/mol
Exact Mass346.00
IUPAC NameN-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide
SMILESCNS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1OC(F)(F)F
InChIInChI=1S/C10H10ClF3N2O4S/c1-15-21(18,19)5-9(17)16-7-4-6(11)2-3-8(7)20-10(12,13)14/h2-4,15H,5H2,1H3,(H,16,17)
InChIKeyXNSOQNMSHKXANO-UHFFFAOYSA-N
XLogP1.73
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.71
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-chloro-2-(trifluoromethoxy)phenyl]-3,3-dimethyl-N'-[(3E)-4-(methylamino)penta-1,3-dien-3-yl]pentanediamide
CID 144906359
N-(5-chloro-2-methoxyphenyl)-2-(4-chlorophenyl)sulfonylacetamide
CID 27449091
N-[5-chloro-2-(trifluoromethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169373372
N-(2-amino-5-chlorophenyl)-2-ethylsulfonylacetamide
CID 43444676
N-(5-chloro-2-methylphenyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]acetamide
CID 78780570
2-chloro-N-(5-chloro-2-methoxyphenyl)acetamide
CID 776663
2-[3,4-bis(methylsulfamoyl)pyrrol-1-yl]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 20921896
1-chloro-3-[5-chloro-2-(trifluoromethoxy)anilino]propan-2-ol
CID 168640841
N-(5-chloro-2-methoxyphenyl)-3-methoxy-3-methylbutanamide
CID 129040736
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
2-(5-chloro-2-methoxyanilino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 26506775
N-[5-chloro-2-(trifluoromethoxy)phenyl]-3,3-dimethyl-N'-[(E)-3-(methylamino)-1-[(6-methyl-2-pyridinyl)amino]-1-oxobut-2-en-2-yl]pentanediamide
CID 162565095

Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide?
The IUPAC name of N-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide (CID 126824127) is N-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide.
What is the SMILES notation for N-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide?
The canonical SMILES for N-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide is CNS(=O)(=O)CC(=O)Nc1cc(Cl)ccc1OC(F)(F)F.
What is the InChIKey of N-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide?
The InChIKey is XNSOQNMSHKXANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N2O4S/c1-15-21(18,19)5-9(17)16-7-4-6(11)2-3-8(7)20-10(12,13)14/h2-4,15H,5H2,1H3,(H,16,17).
What are the key properties of N-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide?
N-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide has a molecular weight of 346.71 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-(trifluoromethoxy)phenyl]-2-(methylsulfamoyl)acetamide is sourced from PubChem (CID 126824127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).