6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid

C15H16F3NO6S — CID 70011689

IUPAC6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid
SMILESO=C(O)C1CC(C(F)(F)F)Oc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C15H16F3NO6S/c16-15(17,18)13-8-11(14(20)21)10-7-9(1-2-12(10)25-13)26(22,23)19-3-5-24-6-4-19/h1-2,7,11,13H,3-6,8H2,(H,20,21)
InChIKeyLWCOKKZPJRVXLJ-UHFFFAOYSA-N
MW395.36 g/mol
LogP1.59
Rot. Bonds3

About 6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid

6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid (PubChem CID 70011689) has the molecular formula C15H16F3NO6S and a molecular weight of 395.36 g/mol. Its IUPAC name is 6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid.

Molecular Properties

Compound Name6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid
PubChem CID70011689
Molecular FormulaC15H16F3NO6S
Molecular Weight395.36 g/mol
Exact Mass395.07
IUPAC Name6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid
SMILESO=C(O)C1CC(C(F)(F)F)Oc2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C15H16F3NO6S/c16-15(17,18)13-8-11(14(20)21)10-7-9(1-2-12(10)25-13)26(22,23)19-3-5-24-6-4-19/h1-2,7,11,13H,3-6,8H2,(H,20,21)
InChIKeyLWCOKKZPJRVXLJ-UHFFFAOYSA-N
XLogP1.59
TPSA93.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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2-chloro-5-morpholin-4-ylsulfonyl-N-[2-(trifluoromethyl)cyclohexyl]benzamide
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2-(methylamino)-5-morpholin-4-ylsulfonylbenzoic acid
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4-morpholin-4-ylsulfonyl-2-(trifluoromethyl)aniline
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2-chloro-4-morpholin-4-ylsulfonylphenol
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(2-chloro-5-morpholin-4-ylsulfonylphenyl)-[(3S)-3-(trifluoromethyl)piperidin-1-yl]methanone
CID 39951393
2-(4-morpholin-4-ylsulfonylphenyl)propanoic acid
CID 57373716
2,2,2-trifluoro-1-(7-morpholin-4-ylsulfonyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
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1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
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3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-3-oxopropanoic acid
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Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid?
The IUPAC name of 6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid (CID 70011689) is 6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid.
What is the SMILES notation for 6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid?
The canonical SMILES for 6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid is O=C(O)C1CC(C(F)(F)F)Oc2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid?
The InChIKey is LWCOKKZPJRVXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO6S/c16-15(17,18)13-8-11(14(20)21)10-7-9(1-2-12(10)25-13)26(22,23)19-3-5-24-6-4-19/h1-2,7,11,13H,3-6,8H2,(H,20,21).
What are the key properties of 6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid?
6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid has a molecular weight of 395.36 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-ylsulfonyl-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-4-carboxylic acid is sourced from PubChem (CID 70011689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).