N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide

C15H13F3N2O3S — CID 2465067

IUPACN-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3N2O3S/c1-10(21)19-12-5-7-13(8-6-12)20-24(22,23)14-4-2-3-11(9-14)15(16,17)18/h2-9,20H,1H3,(H,19,21)
InChIKeyBRJPNUDASKXZFR-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.46
Rot. Bonds4

About N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide

N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide (PubChem CID 2465067) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
PubChem CID2465067
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC NameN-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H13F3N2O3S/c1-10(21)19-12-5-7-13(8-6-12)20-24(22,23)14-4-2-3-11(9-14)15(16,17)18/h2-9,20H,1H3,(H,19,21)
InChIKeyBRJPNUDASKXZFR-UHFFFAOYSA-N
XLogP3.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
N-[4-[(3-hydroxyphenyl)sulfonylamino]phenyl]acetamide
CID 81264893
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
N-(3,4-dichlorophenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3827333
5-methyl-N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]-1,2-oxazole-4-carboxamide
CID 52689707
N-[5-[[3-(trifluoromethyl)phenyl]sulfonylamino]-1,3-benzothiazol-2-yl]acetamide
CID 20971880
N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoate
CID 3458292
N-benzyl-2-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2548502
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446
3-propanoyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 112838614

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide (CID 2465067) is N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide?
The InChIKey is BRJPNUDASKXZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-10(21)19-12-5-7-13(8-6-12)20-24(22,23)14-4-2-3-11(9-14)15(16,17)18/h2-9,20H,1H3,(H,19,21).
What are the key properties of N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide?
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide has a molecular weight of 358.34 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 2465067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).