1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene

C11H15FN2O4S — CID 154880008

IUPAC1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene
SMILESCC(C)NC(=O)N(C)c1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C11H15FN2O4S/c1-8(2)13-11(15)14(3)9-4-6-10(7-5-9)18-19(12,16)17/h4-8H,1-3H3,(H,13,15)
InChIKeyHHOMHOZOSISOJV-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.83
Rot. Bonds4

About 1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene

1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene (PubChem CID 154880008) has the molecular formula C11H15FN2O4S and a molecular weight of 290.32 g/mol. Its IUPAC name is 1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene.

Molecular Properties

Compound Name1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene
PubChem CID154880008
Molecular FormulaC11H15FN2O4S
Molecular Weight290.32 g/mol
Exact Mass290.07
IUPAC Name1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene
SMILESCC(C)NC(=O)N(C)c1ccc(OS(=O)(=O)F)cc1
InChIInChI=1S/C11H15FN2O4S/c1-8(2)13-11(15)14(3)9-4-6-10(7-5-9)18-19(12,16)17/h4-8H,1-3H3,(H,13,15)
InChIKeyHHOMHOZOSISOJV-UHFFFAOYSA-N
XLogP1.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene?
The IUPAC name of 1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene (CID 154880008) is 1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene.
What is the SMILES notation for 1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene?
The canonical SMILES for 1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene is CC(C)NC(=O)N(C)c1ccc(OS(=O)(=O)F)cc1.
What is the InChIKey of 1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene?
The InChIKey is HHOMHOZOSISOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O4S/c1-8(2)13-11(15)14(3)9-4-6-10(7-5-9)18-19(12,16)17/h4-8H,1-3H3,(H,13,15).
What are the key properties of 1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene?
1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene has a molecular weight of 290.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorosulfonyloxy-4-[methyl(propan-2-ylcarbamoyl)amino]benzene is sourced from PubChem (CID 154880008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).