4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane

C16H22FNO5S — CID 154872184

IUPAC4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane
SMILESCC1(C)CC(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC(C)(C)O1
InChIInChI=1S/C16H22FNO5S/c1-15(2)9-11(10-16(3,4)23-15)14(19)18-12-5-7-13(8-6-12)22-24(17,20)21/h5-8,11H,9-10H2,1-4H3,(H,18,19)
InChIKeyVKUMDANGQVWOGB-UHFFFAOYSA-N
MW359.42 g/mol
LogP3.20
Rot. Bonds4

About 4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane

4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane (PubChem CID 154872184) has the molecular formula C16H22FNO5S and a molecular weight of 359.42 g/mol. Its IUPAC name is 4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane.

Molecular Properties

Compound Name4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane
PubChem CID154872184
Molecular FormulaC16H22FNO5S
Molecular Weight359.42 g/mol
Exact Mass359.12
IUPAC Name4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane
SMILESCC1(C)CC(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC(C)(C)O1
InChIInChI=1S/C16H22FNO5S/c1-15(2)9-11(10-16(3,4)23-15)14(19)18-12-5-7-13(8-6-12)22-24(17,20)21/h5-8,11H,9-10H2,1-4H3,(H,18,19)
InChIKeyVKUMDANGQVWOGB-UHFFFAOYSA-N
XLogP3.20
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-cyclopropylcyclohexanecarbonyl)amino]-4-fluorosulfonyloxybenzene
CID 166417194
[4-(cyclohexanecarbonylamino)phenyl] ethanesulfonate
CID 127045881
3-fluoro-3-methyl-N-phenylcyclobutane-1-carboxamide
CID 178058411
4-[(4-fluorosulfonyloxyphenyl)carbamoylamino]-1-methylsulfonylpiperidine
CID 118566531
1,4-bis(fluorosulfonyloxy)benzene
CID 118561819
N-[4-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]phenyl]sulfonylphenyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 15487895
1-[(4-fluorosulfonyloxyphenyl)carbamoyl]-3,3-dimethyl-2-prop-2-enylpiperidine
CID 167925418
1-[[2-cyclopropylethyl(ethyl)carbamoyl]amino]-4-fluorosulfonyloxybenzene
CID 154872315
N-(3-chloro-4-methoxyphenyl)-3,3-difluorocyclobutane-1-carboxamide
CID 155823143
4-[(3-hydroxy-3-methylcyclobutanecarbonyl)amino]-2-methoxybenzoic acid
CID 166304892
N-(4-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 816577
N-[4-[[3,5-bis(trimethylsilyl)cyclohexanecarbonyl]amino]phenyl]-3,5-bis(trimethylsilyl)cyclohexane-1-carboxamide
CID 171577210

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane?
The IUPAC name of 4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane (CID 154872184) is 4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane.
What is the SMILES notation for 4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane?
The canonical SMILES for 4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane is CC1(C)CC(C(=O)Nc2ccc(OS(=O)(=O)F)cc2)CC(C)(C)O1.
What is the InChIKey of 4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane?
The InChIKey is VKUMDANGQVWOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO5S/c1-15(2)9-11(10-16(3,4)23-15)14(19)18-12-5-7-13(8-6-12)22-24(17,20)21/h5-8,11H,9-10H2,1-4H3,(H,18,19).
What are the key properties of 4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane?
4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane has a molecular weight of 359.42 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorosulfonyloxyphenyl)carbamoyl]-2,2,6,6-tetramethyloxane is sourced from PubChem (CID 154872184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).