methyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate

C17H16FNO5S — CID 163392643

IUPACmethyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate
SMILESCOC(=O)C1CCc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2O1
InChIInChI=1S/C17H16FNO5S/c1-23-17(20)15-10-5-11-3-2-4-14(16(11)24-15)19-25(21,22)13-8-6-12(18)7-9-13/h2-4,6-9,15,19H,5,10H2,1H3
InChIKeyFMUSAYIWYHUAHL-UHFFFAOYSA-N
MW365.38 g/mol
LogP2.49
Rot. Bonds4

About methyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate

methyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate (PubChem CID 163392643) has the molecular formula C17H16FNO5S and a molecular weight of 365.38 g/mol. Its IUPAC name is methyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate.

Molecular Properties

Compound Namemethyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate
PubChem CID163392643
Molecular FormulaC17H16FNO5S
Molecular Weight365.38 g/mol
Exact Mass365.07
IUPAC Namemethyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate
SMILESCOC(=O)C1CCc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2O1
InChIInChI=1S/C17H16FNO5S/c1-23-17(20)15-10-5-11-3-2-4-14(16(11)24-15)19-25(21,22)13-8-6-12(18)7-9-13/h2-4,6-9,15,19H,5,10H2,1H3
InChIKeyFMUSAYIWYHUAHL-UHFFFAOYSA-N
XLogP2.49
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate?
The IUPAC name of methyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate (CID 163392643) is methyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate.
What is the SMILES notation for methyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate?
The canonical SMILES for methyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate is COC(=O)C1CCc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2O1.
What is the InChIKey of methyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate?
The InChIKey is FMUSAYIWYHUAHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO5S/c1-23-17(20)15-10-5-11-3-2-4-14(16(11)24-15)19-25(21,22)13-8-6-12(18)7-9-13/h2-4,6-9,15,19H,5,10H2,1H3.
What are the key properties of methyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate?
methyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate has a molecular weight of 365.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-[(4-fluorophenyl)sulfonylamino]-3,4-dihydro-2H-chromene-2-carboxylate is sourced from PubChem (CID 163392643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).