6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide

C14H11FN2O5S — CID 91646535

IUPAC6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccon1)C1=Cc2cc(F)ccc2OC1
InChIInChI=1S/C14H11FN2O5S/c15-11-1-2-13-9(6-11)5-10(7-21-13)14(18)17-23(19,20)8-12-3-4-22-16-12/h1-6H,7-8H2,(H,17,18)
InChIKeyTXTHHDILCZMMIP-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.24
Rot. Bonds4

About 6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide

6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide (PubChem CID 91646535) has the molecular formula C14H11FN2O5S and a molecular weight of 338.32 g/mol. Its IUPAC name is 6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide
PubChem CID91646535
Molecular FormulaC14H11FN2O5S
Molecular Weight338.32 g/mol
Exact Mass338.04
IUPAC Name6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccon1)C1=Cc2cc(F)ccc2OC1
InChIInChI=1S/C14H11FN2O5S/c15-11-1-2-13-9(6-11)5-10(7-21-13)14(18)17-23(19,20)8-12-3-4-22-16-12/h1-6H,7-8H2,(H,17,18)
InChIKeyTXTHHDILCZMMIP-UHFFFAOYSA-N
XLogP1.24
TPSA98.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide?
The IUPAC name of 6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide (CID 91646535) is 6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide?
The canonical SMILES for 6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide is O=C(NS(=O)(=O)Cc1ccon1)C1=Cc2cc(F)ccc2OC1.
What is the InChIKey of 6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide?
The InChIKey is TXTHHDILCZMMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN2O5S/c15-11-1-2-13-9(6-11)5-10(7-21-13)14(18)17-23(19,20)8-12-3-4-22-16-12/h1-6H,7-8H2,(H,17,18).
What are the key properties of 6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide?
6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide has a molecular weight of 338.32 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-(1,2-oxazol-3-ylmethylsulfonyl)-2H-chromene-3-carboxamide is sourced from PubChem (CID 91646535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).