N-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide

C9H10F2N4O3S — CID 125497927

IUPACN-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(F)c(N=[N+]=[N-])c1F
InChIInChI=1S/C9H10F2N4O3S/c1-18-4-5-19(16,17)14-7-3-2-6(10)9(8(7)11)13-15-12/h2-3,14H,4-5H2,1H3
InChIKeyIUGCOFJFFKUQER-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.29
Rot. Bonds6

About N-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide

N-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide (PubChem CID 125497927) has the molecular formula C9H10F2N4O3S and a molecular weight of 292.27 g/mol. Its IUPAC name is N-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide.

Molecular Properties

Compound NameN-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide
PubChem CID125497927
Molecular FormulaC9H10F2N4O3S
Molecular Weight292.27 g/mol
Exact Mass292.04
IUPAC NameN-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide
SMILESCOCCS(=O)(=O)Nc1ccc(F)c(N=[N+]=[N-])c1F
InChIInChI=1S/C9H10F2N4O3S/c1-18-4-5-19(16,17)14-7-3-2-6(10)9(8(7)11)13-15-12/h2-3,14H,4-5H2,1H3
InChIKeyIUGCOFJFFKUQER-UHFFFAOYSA-N
XLogP2.29
TPSA104.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide?
The IUPAC name of N-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide (CID 125497927) is N-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide.
What is the SMILES notation for N-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide?
The canonical SMILES for N-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide is COCCS(=O)(=O)Nc1ccc(F)c(N=[N+]=[N-])c1F.
What is the InChIKey of N-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide?
The InChIKey is IUGCOFJFFKUQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4O3S/c1-18-4-5-19(16,17)14-7-3-2-6(10)9(8(7)11)13-15-12/h2-3,14H,4-5H2,1H3.
What are the key properties of N-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide?
N-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide has a molecular weight of 292.27 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-azido-2,4-difluorophenyl)-2-methoxyethanesulfonamide is sourced from PubChem (CID 125497927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).