1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene

C10H12FNO4S — CID 154880194

IUPAC1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene
SMILESCC(C)C(=O)Nc1cccc(OS(=O)(=O)F)c1
InChIInChI=1S/C10H12FNO4S/c1-7(2)10(13)12-8-4-3-5-9(6-8)16-17(11,14)15/h3-7H,1-2H3,(H,12,13)
InChIKeyULNJTHZCYFGCBS-UHFFFAOYSA-N
MW261.27 g/mol
LogP1.87
Rot. Bonds4

About 1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene

1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene (PubChem CID 154880194) has the molecular formula C10H12FNO4S and a molecular weight of 261.27 g/mol. Its IUPAC name is 1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene.

Molecular Properties

Compound Name1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene
PubChem CID154880194
Molecular FormulaC10H12FNO4S
Molecular Weight261.27 g/mol
Exact Mass261.05
IUPAC Name1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene
SMILESCC(C)C(=O)Nc1cccc(OS(=O)(=O)F)c1
InChIInChI=1S/C10H12FNO4S/c1-7(2)10(13)12-8-4-3-5-9(6-8)16-17(11,14)15/h3-7H,1-2H3,(H,12,13)
InChIKeyULNJTHZCYFGCBS-UHFFFAOYSA-N
XLogP1.87
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-[[2-[(3-propan-2-ylsulfonyloxyphenyl)carbamoylamino]phenyl]carbamoylamino]phenyl] propane-2-sulfonate
CID 155661435
N-[3-(2-chloropropanoylamino)phenyl]-2-methylpropanamide
CID 43699994
ethane;2-methyl-N-(3-methylphenyl)propanamide
CID 163229096
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
2-methyl-N-[3-[2-oxo-2-(4-sulfamoylanilino)ethoxy]phenyl]propanamide
CID 18870118
N-[4-[[2-(3-ethoxyanilino)-2-oxoethyl]amino]phenyl]-2-methylpropanamide
CID 54830764
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]propanamide
CID 61146338
2-methyl-N-[4-[[2-oxo-2-(3-propan-2-yloxyanilino)ethyl]amino]phenyl]propanamide
CID 54830568
2-amino-N-[3-(difluoromethoxy)phenyl]-3,3-dimethylbutanamide
CID 76887533
N-[3-[[(2R)-2-aminopropanoyl]amino]phenyl]-2-methylpropanamide;hydrochloride
CID 119281775
2-methyl-N-[3-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]phenyl]propanamide
CID 18870141
(2S)-2-chloro-N-(3-methoxyphenyl)propanamide
CID 6591303

Frequently Asked Questions

What is the IUPAC name of 1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene?
The IUPAC name of 1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene (CID 154880194) is 1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene.
What is the SMILES notation for 1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene?
The canonical SMILES for 1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene is CC(C)C(=O)Nc1cccc(OS(=O)(=O)F)c1.
What is the InChIKey of 1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene?
The InChIKey is ULNJTHZCYFGCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S/c1-7(2)10(13)12-8-4-3-5-9(6-8)16-17(11,14)15/h3-7H,1-2H3,(H,12,13).
What are the key properties of 1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene?
1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene has a molecular weight of 261.27 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorosulfonyloxy-3-(2-methylpropanoylamino)benzene is sourced from PubChem (CID 154880194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).