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

C15H13F3N2O3S — CID 24591363

IUPACN-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O3S/c1-10(21)19-11-7-8-14(13(9-11)15(16,17)18)20-24(22,23)12-5-3-2-4-6-12/h2-9,20H,1H3,(H,19,21)
InChIKeySGLLUIZKPUGJJB-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.46
Rot. Bonds4

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

N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 24591363) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide
PubChem CID24591363
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC NameN-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2)c(C(F)(F)F)c1
InChIInChI=1S/C15H13F3N2O3S/c1-10(21)19-11-7-8-14(13(9-11)15(16,17)18)20-24(22,23)12-5-3-2-4-6-12/h2-9,20H,1H3,(H,19,21)
InChIKeySGLLUIZKPUGJJB-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

4-[[4-acetamido-2-(trifluoromethyl)phenyl]sulfamoyl]benzoic acid
CID 24591397
N-[4-[(3,4-diethoxyphenyl)sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 24604753
N-[4-[[2-chloro-5-(trifluoromethyl)phenyl]sulfonylamino]-3-(trifluoromethyl)phenyl]acetamide
CID 24591375
dimethyl 2-[[4-acetamido-2-(trifluoromethyl)phenyl]sulfamoyl]benzene-1,4-dicarboxylate
CID 24591390
5-(benzenesulfonamido)-2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]benzamide
CID 28634197
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-[4-[[2-fluoro-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 22773509
2-[(4-acetamidophenyl)sulfonylamino]benzoic acid
CID 3863821
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
N-[2-methyl-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 141280125
(2R)-N-[4-acetamido-2-(trifluoromethyl)phenyl]-2-aminopropanamide
CID 78973301
N-[4-[[2-(cyclohexylamino)-5-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 17458180

Frequently Asked Questions

What is the IUPAC name of N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide (CID 24591363) is N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2)c(C(F)(F)F)c1.
What is the InChIKey of N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is SGLLUIZKPUGJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c1-10(21)19-11-7-8-14(13(9-11)15(16,17)18)20-24(22,23)12-5-3-2-4-6-12/h2-9,20H,1H3,(H,19,21).
What are the key properties of N-[4-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide?
N-[4-(benzenesulfonamido)-3-(trifluoromethyl)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-(benzenesulfonamido)-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24591363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).