4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide

C9H12F2N2O3S — CID 113303531

IUPAC4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C9H12F2N2O3S/c1-16-7-4-6(12)2-3-8(7)17(14,15)13-5-9(10)11/h2-4,9,13H,5,12H2,1H3
InChIKeyLWYXIDYGJUQEEC-UHFFFAOYSA-N
MW266.27 g/mol
LogP0.82
Rot. Bonds5

About 4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide

4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide (PubChem CID 113303531) has the molecular formula C9H12F2N2O3S and a molecular weight of 266.27 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
PubChem CID113303531
Molecular FormulaC9H12F2N2O3S
Molecular Weight266.27 g/mol
Exact Mass266.05
IUPAC Name4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NCC(F)F
InChIInChI=1S/C9H12F2N2O3S/c1-16-7-4-6(12)2-3-8(7)17(14,15)13-5-9(10)11/h2-4,9,13H,5,12H2,1H3
InChIKeyLWYXIDYGJUQEEC-UHFFFAOYSA-N
XLogP0.82
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.27
LogP ≤ 50.82
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

4-amino-2-methoxy-N-(3-methylbutyl)benzenesulfonamide
CID 43258356
4-amino-2-methoxy-N-(2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 63981376
N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704669
4-amino-N-(2-cyclopropyl-2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 63294130
4-amino-2-methoxy-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 104758400
5-amino-N-(2,2-difluoroethyl)-2-ethoxybenzenesulfonamide
CID 113303848
5-amino-N-(2,2-difluoroethyl)-2-ethylbenzenesulfonamide
CID 113303506
4-amino-N-(4-hydroxybutyl)-2-methoxybenzenesulfonamide
CID 106840223
methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665942
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
2-[(4-amino-2-methoxyphenyl)sulfonylamino]-N,N-dimethylacetamide
CID 43310749
4-amino-N-[3-(diethylamino)propyl]-2-methoxybenzenesulfonamide
CID 3046698

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide (CID 113303531) is 4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NCC(F)F.
What is the InChIKey of 4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide?
The InChIKey is LWYXIDYGJUQEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O3S/c1-16-7-4-6(12)2-3-8(7)17(14,15)13-5-9(10)11/h2-4,9,13H,5,12H2,1H3.
What are the key properties of 4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide?
4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide has a molecular weight of 266.27 g/mol, XLogP of 0.82, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoroethyl)-2-methoxybenzenesulfonamide is sourced from PubChem (CID 113303531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).