4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid

C20H16F3NO4S — CID 174508728

IUPAC4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid
SMILESCN(Cc1ccc(C(=O)O)c2ccccc12)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO4S/c1-24(29(27,28)15-9-7-14(8-10-15)20(21,22)23)12-13-6-11-18(19(25)26)17-5-3-2-4-16(13)17/h2-11H,12H2,1H3,(H,25,26)
InChIKeyZAENHEFZEAZKRD-UHFFFAOYSA-N
MW423.41 g/mol
LogP4.38
Rot. Bonds5

About 4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid

4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid (PubChem CID 174508728) has the molecular formula C20H16F3NO4S and a molecular weight of 423.41 g/mol. Its IUPAC name is 4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid
PubChem CID174508728
Molecular FormulaC20H16F3NO4S
Molecular Weight423.41 g/mol
Exact Mass423.08
IUPAC Name4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid
SMILESCN(Cc1ccc(C(=O)O)c2ccccc12)S(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H16F3NO4S/c1-24(29(27,28)15-9-7-14(8-10-15)20(21,22)23)12-13-6-11-18(19(25)26)17-5-3-2-4-16(13)17/h2-11H,12H2,1H3,(H,25,26)
InChIKeyZAENHEFZEAZKRD-UHFFFAOYSA-N
XLogP4.38
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.41
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]benzamide
CID 26542056
4-acetyl-N-methyl-N-(naphthalen-1-ylmethyl)benzenesulfonamide
CID 78767045
4-[benzyl(methyl)sulfamoyl]-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972439
2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 26950715
N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
N-(3-aminopropyl)-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 115319055
N-methoxy-N-phenyl-4-(trifluoromethyl)benzenesulfonamide
CID 166448950
4-chloro-N-methyl-N-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 58597499
4-[3-[3,5-bis(trifluoromethyl)phenyl]-4,4,4-trifluorobut-2-enoyl]naphthalene-1-carboxylic acid
CID 160839547
N-[[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]methyl]-N-methyl-4-(trifluoromethyl)benzenesulfonamide
CID 66690145
N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide
CID 68737669
2-ethyl-5-[ethyl-[[5-(trifluoromethyl)-2-pyridinyl]sulfanyl]sulfamoyl]benzoic acid
CID 87746321

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid?
The IUPAC name of 4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid (CID 174508728) is 4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid?
The canonical SMILES for 4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid is CN(Cc1ccc(C(=O)O)c2ccccc12)S(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid?
The InChIKey is ZAENHEFZEAZKRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO4S/c1-24(29(27,28)15-9-7-14(8-10-15)20(21,22)23)12-13-6-11-18(19(25)26)17-5-3-2-4-16(13)17/h2-11H,12H2,1H3,(H,25,26).
What are the key properties of 4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid?
4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid has a molecular weight of 423.41 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]methyl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 174508728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).