N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide

C11H15FN2O3S — CID 62048974

IUPACN-(4-amino-2-fluorophenyl)oxane-4-sulfonamide
SMILESNc1ccc(NS(=O)(=O)C2CCOCC2)c(F)c1
InChIInChI=1S/C11H15FN2O3S/c12-10-7-8(13)1-2-11(10)14-18(15,16)9-3-5-17-6-4-9/h1-2,7,9,14H,3-6,13H2
InChIKeyYKFNVSDTWFEJSM-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.33
Rot. Bonds3

About N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide

N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide (PubChem CID 62048974) has the molecular formula C11H15FN2O3S and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(4-amino-2-fluorophenyl)oxane-4-sulfonamide
PubChem CID62048974
Molecular FormulaC11H15FN2O3S
Molecular Weight274.32 g/mol
Exact Mass274.08
IUPAC NameN-(4-amino-2-fluorophenyl)oxane-4-sulfonamide
SMILESNc1ccc(NS(=O)(=O)C2CCOCC2)c(F)c1
InChIInChI=1S/C11H15FN2O3S/c12-10-7-8(13)1-2-11(10)14-18(15,16)9-3-5-17-6-4-9/h1-2,7,9,14H,3-6,13H2
InChIKeyYKFNVSDTWFEJSM-UHFFFAOYSA-N
XLogP1.33
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(2-amino-4,6-difluorophenyl)oxane-4-sulfonamide
CID 81313587
N-(2-amino-4,5-dimethylphenyl)oxane-4-sulfonamide
CID 55037574
N-[2-[4-(4-aminophenyl)-2-fluoroanilino]-3,4-difluorophenyl]cyclopropanesulfonamide
CID 89144911
2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine
CID 80716587
N-(3-amino-2-chlorophenyl)oxane-4-sulfonamide
CID 114270035
N-(2-amino-4,6-dibromophenyl)oxane-4-sulfonamide
CID 62047703
N-(4-amino-2-bromophenyl)-1,1-dioxothiane-4-sulfonamide
CID 62084935
N-[2-(aminomethyl)phenyl]oxane-4-sulfonamide
CID 62047509
N-[4-chloro-2-(3-hydroxyprop-1-ynyl)phenyl]oxane-4-sulfonamide
CID 81280588
N-[2-hydroxy-5-(trifluoromethyl)phenyl]oxane-4-sulfonamide
CID 81198712
2-fluoro-N'-hydroxy-5-(oxan-4-ylsulfonylamino)benzenecarboximidamide
CID 76939387
4-(cyclopentylsulfonylamino)-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 105361639

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide?
The IUPAC name of N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide (CID 62048974) is N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide?
The canonical SMILES for N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide is Nc1ccc(NS(=O)(=O)C2CCOCC2)c(F)c1.
What is the InChIKey of N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide?
The InChIKey is YKFNVSDTWFEJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O3S/c12-10-7-8(13)1-2-11(10)14-18(15,16)9-3-5-17-6-4-9/h1-2,7,9,14H,3-6,13H2.
What are the key properties of N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide?
N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide has a molecular weight of 274.32 g/mol, XLogP of 1.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide is sourced from PubChem (CID 62048974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).