7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene

C11H15FN2O3S — CID 165409830

IUPAC7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene
SMILESCC1(C)CC(NS(N)(=O)=O)c2ccc(F)cc2O1
InChIInChI=1S/C11H15FN2O3S/c1-11(2)6-9(14-18(13,15)16)8-4-3-7(12)5-10(8)17-11/h3-5,9,14H,6H2,1-2H3,(H2,13,15,16)
InChIKeyIJLUJJPWBFHKNK-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.22
Rot. Bonds2

About 7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene

7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene (PubChem CID 165409830) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is 7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene.

Molecular Properties

Compound Name7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene
PubChem CID165409830
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC Name7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene
SMILESCC1(C)CC(NS(N)(=O)=O)c2ccc(F)cc2O1
InChIInChI=1S/C11H15FN2O3S/c1-11(2)6-9(14-18(13,15)16)8-4-3-7(12)5-10(8)17-11/h3-5,9,14H,6H2,1-2H3,(H2,13,15,16)
InChIKeyIJLUJJPWBFHKNK-UHFFFAOYSA-N
XLogP1.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene?
The IUPAC name of 7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene (CID 165409830) is 7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene.
What is the SMILES notation for 7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene?
The canonical SMILES for 7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene is CC1(C)CC(NS(N)(=O)=O)c2ccc(F)cc2O1.
What is the InChIKey of 7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene?
The InChIKey is IJLUJJPWBFHKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c1-11(2)6-9(14-18(13,15)16)8-4-3-7(12)5-10(8)17-11/h3-5,9,14H,6H2,1-2H3,(H2,13,15,16).
What are the key properties of 7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene?
7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene has a molecular weight of 274.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2,2-dimethyl-4-(sulfamoylamino)-3,4-dihydrochromene is sourced from PubChem (CID 165409830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).