4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide

C10H13FN2O5S — CID 104832483

IUPAC4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide
SMILESNS(=O)(=O)CCCCOc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H13FN2O5S/c11-8-4-3-5-9(13(14)15)10(8)18-6-1-2-7-19(12,16)17/h3-5H,1-2,6-7H2,(H2,12,16,17)
InChIKeyLPRXGNHQDRBRBA-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.18
Rot. Bonds7

About 4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide

4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide (PubChem CID 104832483) has the molecular formula C10H13FN2O5S and a molecular weight of 292.29 g/mol. Its IUPAC name is 4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide.

Molecular Properties

Compound Name4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide
PubChem CID104832483
Molecular FormulaC10H13FN2O5S
Molecular Weight292.29 g/mol
Exact Mass292.05
IUPAC Name4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide
SMILESNS(=O)(=O)CCCCOc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H13FN2O5S/c11-8-4-3-5-9(13(14)15)10(8)18-6-1-2-7-19(12,16)17/h3-5H,1-2,6-7H2,(H2,12,16,17)
InChIKeyLPRXGNHQDRBRBA-UHFFFAOYSA-N
XLogP1.18
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
CID 53255698
2-but-3-ynoxy-1-fluoro-3-nitrobenzene
CID 104832240
4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
CID 104832230
potassium trifluoro-[(2-fluoro-6-nitrophenoxy)methyl]boranuide
CID 104832470
6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide
CID 106712487
1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol
CID 104832228
9-(2-bromo-6-nitrophenoxy)nonane-1-thiol
CID 105344500
5-(2-bromo-6-nitrophenoxy)pentan-1-ol
CID 81499592
4-(2-nitrophenoxy)butane-1-sulfonic acid
CID 18954140
5-[(2-fluoro-6-nitrophenoxy)methyl]pyridin-2-amine
CID 104831737
3-(2-fluoro-6-nitrophenoxy)-2-methylpropane-1-thiol
CID 104832559
2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone
CID 104831980

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide?
The IUPAC name of 4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide (CID 104832483) is 4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide.
What is the SMILES notation for 4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide?
The canonical SMILES for 4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide is NS(=O)(=O)CCCCOc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide?
The InChIKey is LPRXGNHQDRBRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O5S/c11-8-4-3-5-9(13(14)15)10(8)18-6-1-2-7-19(12,16)17/h3-5H,1-2,6-7H2,(H2,12,16,17).
What are the key properties of 4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide?
4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide has a molecular weight of 292.29 g/mol, XLogP of 1.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide is sourced from PubChem (CID 104832483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).