3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide

C13H12F2N2O3S — CID 114837099

IUPAC3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(N)cc(F)c2)ccc1F
InChIInChI=1S/C13H12F2N2O3S/c1-20-13-7-10(2-3-12(13)15)17-21(18,19)11-5-8(14)4-9(16)6-11/h2-7,17H,16H2,1H3
InChIKeyXZKYARHFTDIQLZ-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.36
Rot. Bonds4

About 3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide

3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide (PubChem CID 114837099) has the molecular formula C13H12F2N2O3S and a molecular weight of 314.31 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
PubChem CID114837099
Molecular FormulaC13H12F2N2O3S
Molecular Weight314.31 g/mol
Exact Mass314.05
IUPAC Name3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2cc(N)cc(F)c2)ccc1F
InChIInChI=1S/C13H12F2N2O3S/c1-20-13-7-10(2-3-12(13)15)17-21(18,19)11-5-8(14)4-9(16)6-11/h2-7,17H,16H2,1H3
InChIKeyXZKYARHFTDIQLZ-UHFFFAOYSA-N
XLogP2.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.31
LogP ≤ 52.36
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

3-amino-N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114837025
N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114840301
N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide
CID 43604908
3-amino-N-[4-(dimethylamino)phenyl]-5-fluorobenzenesulfonamide
CID 63322274
2-amino-5-chloro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide
CID 114837085
N-(4-fluoro-3-methoxyphenyl)-4-nitrobenzenesulfonamide
CID 124620748
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
3-amino-5-fluoro-N-(4-propylphenyl)benzenesulfonamide
CID 63321784
3-amino-5-fluoro-N-(3-methylsulfanylphenyl)benzenesulfonamide
CID 63322037
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
3-amino-N-(4-chloro-3-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 107620734
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzamide
CID 114836836

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide (CID 114837099) is 3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2cc(N)cc(F)c2)ccc1F.
What is the InChIKey of 3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide?
The InChIKey is XZKYARHFTDIQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3S/c1-20-13-7-10(2-3-12(13)15)17-21(18,19)11-5-8(14)4-9(16)6-11/h2-7,17H,16H2,1H3.
What are the key properties of 3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide?
3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide has a molecular weight of 314.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(4-fluoro-3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 114837099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).