6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid

C14H12F3NO4S — CID 18185300

IUPAC6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid
SMILESCN(Cc1ccc2cc(C(=O)O)ccc2c1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H12F3NO4S/c1-18(23(21,22)14(15,16)17)8-9-2-3-11-7-12(13(19)20)5-4-10(11)6-9/h2-7H,8H2,1H3,(H,19,20)
InChIKeyRTSWXCWOWFBALQ-UHFFFAOYSA-N
MW347.31 g/mol
LogP2.82
Rot. Bonds4

About 6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid

6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid (PubChem CID 18185300) has the molecular formula C14H12F3NO4S and a molecular weight of 347.31 g/mol. Its IUPAC name is 6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid
PubChem CID18185300
Molecular FormulaC14H12F3NO4S
Molecular Weight347.31 g/mol
Exact Mass347.04
IUPAC Name6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid
SMILESCN(Cc1ccc2cc(C(=O)O)ccc2c1)S(=O)(=O)C(F)(F)F
InChIInChI=1S/C14H12F3NO4S/c1-18(23(21,22)14(15,16)17)8-9-2-3-11-7-12(13(19)20)5-4-10(11)6-9/h2-7H,8H2,1H3,(H,19,20)
InChIKeyRTSWXCWOWFBALQ-UHFFFAOYSA-N
XLogP2.82
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid?
The IUPAC name of 6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid (CID 18185300) is 6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid.
What is the SMILES notation for 6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid?
The canonical SMILES for 6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid is CN(Cc1ccc2cc(C(=O)O)ccc2c1)S(=O)(=O)C(F)(F)F.
What is the InChIKey of 6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid?
The InChIKey is RTSWXCWOWFBALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO4S/c1-18(23(21,22)14(15,16)17)8-9-2-3-11-7-12(13(19)20)5-4-10(11)6-9/h2-7H,8H2,1H3,(H,19,20).
What are the key properties of 6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid?
6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid has a molecular weight of 347.31 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[methyl(trifluoromethylsulfonyl)amino]methyl]naphthalene-2-carboxylic acid is sourced from PubChem (CID 18185300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).