1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene

C7H9FN2O3S — CID 154203860

IUPAC1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene
SMILESNS(=O)(=O)NOCc1ccc(F)cc1
InChIInChI=1S/C7H9FN2O3S/c8-7-3-1-6(2-4-7)5-13-10-14(9,11)12/h1-4,10H,5H2,(H2,9,11,12)
InChIKeyDEYTYCRJOFWJHD-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.05
Rot. Bonds4

About 1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene

1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene (PubChem CID 154203860) has the molecular formula C7H9FN2O3S and a molecular weight of 220.22 g/mol. Its IUPAC name is 1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene.

Molecular Properties

Compound Name1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene
PubChem CID154203860
Molecular FormulaC7H9FN2O3S
Molecular Weight220.22 g/mol
Exact Mass220.03
IUPAC Name1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene
SMILESNS(=O)(=O)NOCc1ccc(F)cc1
InChIInChI=1S/C7H9FN2O3S/c8-7-3-1-6(2-4-7)5-13-10-14(9,11)12/h1-4,10H,5H2,(H2,9,11,12)
InChIKeyDEYTYCRJOFWJHD-UHFFFAOYSA-N
XLogP0.05
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzyloxyamine hydrochloride
CID 102312
O-Benzylhydroxylamine
CID 102313
Benzyl sulfamate
CID 9990000
o-(4-Fluorobenzyl)hydroxylamine hydrochloride
CID 12800721
o-(3-Fluorobenzyl)hydroxylamine hydrochloride
CID 23206139
Sulfamic acid 4-sulfamoyloxymethyl-benzyl ester
CID 44391625
Sulfamic acid phenethyl ester
CID 11816502
o-(2,4-Difluorobenzyl)hydroxylamine hydrochloride
CID 66761410
Benzyl sulfate
CID 20818
4-(Trifluoromethyl)benzyl sulfamate
CID 24761699
(4-Methylphenyl)methyl sulfamate
CID 44367405
O-(2-Fluorobenzyl)hydroxylamine hydrochloride
CID 21192890

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene?
The IUPAC name of 1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene (CID 154203860) is 1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene.
What is the SMILES notation for 1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene?
The canonical SMILES for 1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene is NS(=O)(=O)NOCc1ccc(F)cc1.
What is the InChIKey of 1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene?
The InChIKey is DEYTYCRJOFWJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3S/c8-7-3-1-6(2-4-7)5-13-10-14(9,11)12/h1-4,10H,5H2,(H2,9,11,12).
What are the key properties of 1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene?
1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene has a molecular weight of 220.22 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-[(sulfamoylamino)oxymethyl]benzene is sourced from PubChem (CID 154203860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).