1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene

C16H20FNO4S — CID 166417194

IUPAC1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene
SMILESO=C(Nc1ccc(OS(=O)(=O)F)cc1)C1CCCCC1C1CC1
InChIInChI=1S/C16H20FNO4S/c17-23(20,21)22-13-9-7-12(8-10-13)18-16(19)15-4-2-1-3-14(15)11-5-6-11/h7-11,14-15H,1-6H2,(H,18,19)
InChIKeyJEUFZYCZYUAHRT-UHFFFAOYSA-N
MW341.40 g/mol
LogP3.43
Rot. Bonds5

About 1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene

1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene (PubChem CID 166417194) has the molecular formula C16H20FNO4S and a molecular weight of 341.40 g/mol. Its IUPAC name is 1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene.

Molecular Properties

Compound Name1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene
PubChem CID166417194
Molecular FormulaC16H20FNO4S
Molecular Weight341.40 g/mol
Exact Mass341.11
IUPAC Name1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene
SMILESO=C(Nc1ccc(OS(=O)(=O)F)cc1)C1CCCCC1C1CC1
InChIInChI=1S/C16H20FNO4S/c17-23(20,21)22-13-9-7-12(8-10-13)18-16(19)15-4-2-1-3-14(15)11-5-6-11/h7-11,14-15H,1-6H2,(H,18,19)
InChIKeyJEUFZYCZYUAHRT-UHFFFAOYSA-N
XLogP3.43
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene?
The IUPAC name of 1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene (CID 166417194) is 1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene.
What is the SMILES notation for 1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene?
The canonical SMILES for 1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene is O=C(Nc1ccc(OS(=O)(=O)F)cc1)C1CCCCC1C1CC1.
What is the InChIKey of 1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene?
The InChIKey is JEUFZYCZYUAHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO4S/c17-23(20,21)22-13-9-7-12(8-10-13)18-16(19)15-4-2-1-3-14(15)11-5-6-11/h7-11,14-15H,1-6H2,(H,18,19).
What are the key properties of 1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene?
1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene has a molecular weight of 341.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene is sourced from PubChem (CID 166417194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).