2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide

C16H14F3N3O4S — CID 55878321

IUPAC2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide
SMILESCc1ccccc1C(=O)NNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O4S/c1-10-4-2-3-5-13(10)14(23)21-22-27(25,26)12-8-6-11(7-9-12)20-15(24)16(17,18)19/h2-9,22H,1H3,(H,20,24)(H,21,23)
InChIKeyFNYVPZFXSPWJNT-UHFFFAOYSA-N
MW401.37 g/mol
LogP2.12
Rot. Bonds5

About 2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide

2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide (PubChem CID 55878321) has the molecular formula C16H14F3N3O4S and a molecular weight of 401.37 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide
PubChem CID55878321
Molecular FormulaC16H14F3N3O4S
Molecular Weight401.37 g/mol
Exact Mass401.07
IUPAC Name2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide
SMILESCc1ccccc1C(=O)NNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1
InChIInChI=1S/C16H14F3N3O4S/c1-10-4-2-3-5-13(10)14(23)21-22-27(25,26)12-8-6-11(7-9-12)20-15(24)16(17,18)19/h2-9,22H,1H3,(H,20,24)(H,21,23)
InChIKeyFNYVPZFXSPWJNT-UHFFFAOYSA-N
XLogP2.12
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 1333349
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-methylbenzamide
CID 4933955
N-[4-(benzenesulfonyl)phenyl]-2,2,2-trifluoroacetamide
CID 131852564
2-hydroxy-N'-(4-methylphenyl)sulfonylbenzohydrazide
CID 766765
4-[(2-methylbenzoyl)amino]benzenesulfonyl chloride
CID 13467302
2-fluoro-N'-[4-(trifluoromethoxy)phenyl]sulfonylbenzohydrazide
CID 8523928
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-2-methylbenzamide
CID 40575887
2,2,2-trifluoro-N-[4-[(2-methyl-1-phenylpropyl)sulfamoyl]phenyl]acetamide
CID 42960098
N'-(benzenesulfonyl)-2,5-dimethylbenzohydrazide
CID 54112488
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
[4-[(2,2,2-trifluoroacetyl)amino]phenyl]carbamic acid
CID 18543052
2-fluoro-3-methyl-N'-naphthalen-2-ylsulfonylbenzohydrazide
CID 135298550

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide (CID 55878321) is 2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide is Cc1ccccc1C(=O)NNS(=O)(=O)c1ccc(NC(=O)C(F)(F)F)cc1.
What is the InChIKey of 2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide?
The InChIKey is FNYVPZFXSPWJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O4S/c1-10-4-2-3-5-13(10)14(23)21-22-27(25,26)12-8-6-11(7-9-12)20-15(24)16(17,18)19/h2-9,22H,1H3,(H,20,24)(H,21,23).
What are the key properties of 2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide?
2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide has a molecular weight of 401.37 g/mol, XLogP of 2.12, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[4-[[(2-methylbenzoyl)amino]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 55878321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).