1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene

C9H10FNO4S — CID 154880190

IUPAC1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene
SMILESCN(C)C(=O)c1cccc(OS(=O)(=O)F)c1
InChIInChI=1S/C9H10FNO4S/c1-11(2)9(12)7-4-3-5-8(6-7)15-16(10,13)14/h3-6H,1-2H3
InChIKeyKBYFSRQMEBTZFU-UHFFFAOYSA-N
MW247.25 g/mol
LogP0.98
Rot. Bonds3

About 1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene

1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene (PubChem CID 154880190) has the molecular formula C9H10FNO4S and a molecular weight of 247.25 g/mol. Its IUPAC name is 1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene.

Molecular Properties

Compound Name1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene
PubChem CID154880190
Molecular FormulaC9H10FNO4S
Molecular Weight247.25 g/mol
Exact Mass247.03
IUPAC Name1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene
SMILESCN(C)C(=O)c1cccc(OS(=O)(=O)F)c1
InChIInChI=1S/C9H10FNO4S/c1-11(2)9(12)7-4-3-5-8(6-7)15-16(10,13)14/h3-6H,1-2H3
InChIKeyKBYFSRQMEBTZFU-UHFFFAOYSA-N
XLogP0.98
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-3-propoxybenzamide
CID 28639811
3-[[4-[[3-(dimethylcarbamoyl)phenoxy]methyl]phenyl]methoxy]-N,N-dimethylbenzamide
CID 167758770
3-[(6-fluoro-2-pyridinyl)oxy]-N,N-dimethylbenzamide
CID 23441684
N,N-dimethyl-3-phenylmethoxybenzamide
CID 8778645
3-[[(1S,5R)-3-bicyclo[3.2.1]octanyl]oxy]-N,N-dimethylbenzamide
CID 70660969
3-(4-amino-3-chlorophenoxy)-N,N-dimethylbenzamide
CID 118138252
3-[2-(4-fluorophenyl)-2-hydroxyethoxy]-N,N-dimethylbenzamide
CID 109416235
3-[(2-chlorophenyl)methoxy]-N,N-dimethylbenzamide
CID 13176467
3-fluorosulfonyloxy-5-[methyl-(2-methylphenyl)carbamoyl]pyridine
CID 154880992
1-fluorosulfonyloxy-3-(trifluoromethyl)benzene
CID 71651266
N,N-dihydroxy-3-methoxybenzamide
CID 91426750
3-(difluoromethoxy)-N-[4-(dimethylcarbamoyl)phenyl]benzamide
CID 8698643

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene?
The IUPAC name of 1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene (CID 154880190) is 1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene.
What is the SMILES notation for 1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene?
The canonical SMILES for 1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene is CN(C)C(=O)c1cccc(OS(=O)(=O)F)c1.
What is the InChIKey of 1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene?
The InChIKey is KBYFSRQMEBTZFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4S/c1-11(2)9(12)7-4-3-5-8(6-7)15-16(10,13)14/h3-6H,1-2H3.
What are the key properties of 1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene?
1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene has a molecular weight of 247.25 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylcarbamoyl)-3-fluorosulfonyloxybenzene is sourced from PubChem (CID 154880190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).