4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide

C8H10F2N2O3S — CID 60985983

IUPAC4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C8H10F2N2O3S/c1-12(15-2)16(13,14)8-6(9)3-5(11)4-7(8)10/h3-4H,11H2,1-2H3
InChIKeyBSPPDPLNPBRNNR-UHFFFAOYSA-N
MW252.24 g/mol
LogP0.73
Rot. Bonds3

About 4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide

4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide (PubChem CID 60985983) has the molecular formula C8H10F2N2O3S and a molecular weight of 252.24 g/mol. Its IUPAC name is 4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide
PubChem CID60985983
Molecular FormulaC8H10F2N2O3S
Molecular Weight252.24 g/mol
Exact Mass252.04
IUPAC Name4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1c(F)cc(N)cc1F
InChIInChI=1S/C8H10F2N2O3S/c1-12(15-2)16(13,14)8-6(9)3-5(11)4-7(8)10/h3-4H,11H2,1-2H3
InChIKeyBSPPDPLNPBRNNR-UHFFFAOYSA-N
XLogP0.73
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide (CID 60985983) is 4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide is CON(C)S(=O)(=O)c1c(F)cc(N)cc1F.
What is the InChIKey of 4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide?
The InChIKey is BSPPDPLNPBRNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O3S/c1-12(15-2)16(13,14)8-6(9)3-5(11)4-7(8)10/h3-4H,11H2,1-2H3.
What are the key properties of 4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide?
4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide has a molecular weight of 252.24 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-difluoro-N-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 60985983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).