N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide

C13H12F2N2O3S — CID 43604875

IUPACN-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(N)c2)cc1F
InChIInChI=1S/C13H12F2N2O3S/c1-20-13-5-3-9(7-11(13)15)21(18,19)17-8-2-4-10(14)12(16)6-8/h2-7,17H,16H2,1H3
InChIKeyPVTYVCHWRGHPEB-UHFFFAOYSA-N
MW314.31 g/mol
LogP2.36
Rot. Bonds4

About N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide

N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide (PubChem CID 43604875) has the molecular formula C13H12F2N2O3S and a molecular weight of 314.31 g/mol. Its IUPAC name is N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
PubChem CID43604875
Molecular FormulaC13H12F2N2O3S
Molecular Weight314.31 g/mol
Exact Mass314.05
IUPAC NameN-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2ccc(F)c(N)c2)cc1F
InChIInChI=1S/C13H12F2N2O3S/c1-20-13-5-3-9(7-11(13)15)21(18,19)17-8-2-4-10(14)12(16)6-8/h2-7,17H,16H2,1H3
InChIKeyPVTYVCHWRGHPEB-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

N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604461
N-(4-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 19109264
3-amino-N-(4-chloro-3-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 107620734
N-(4-bromo-3-methylphenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 39825061
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
3-fluoro-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 19109258
3-amino-N-(4-fluoro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 114837025
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458
3,4-difluoro-N-(3-fluoro-4-methoxyphenyl)-5-nitrobenzenesulfonamide
CID 22465638
4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide
CID 81442051
N-(3-amino-4-fluorophenyl)-3,5-difluorobenzenesulfonamide
CID 43604908

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
The IUPAC name of N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide (CID 43604875) is N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
The canonical SMILES for N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)Nc2ccc(F)c(N)c2)cc1F.
What is the InChIKey of N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
The InChIKey is PVTYVCHWRGHPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O3S/c1-20-13-5-3-9(7-11(13)15)21(18,19)17-8-2-4-10(14)12(16)6-8/h2-7,17H,16H2,1H3.
What are the key properties of N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide?
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide 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 N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide is sourced from PubChem (CID 43604875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).