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

C13H12ClFN2O3S — CID 81442051

IUPAC4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)ccc1N
InChIInChI=1S/C13H12ClFN2O3S/c1-20-13-7-9(3-5-12(13)16)21(18,19)17-8-2-4-10(14)11(15)6-8/h2-7,17H,16H2,1H3
InChIKeyHZJVFBUPGJXYCD-UHFFFAOYSA-N
MW330.77 g/mol
LogP2.87
Rot. Bonds4

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

4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide (PubChem CID 81442051) has the molecular formula C13H12ClFN2O3S and a molecular weight of 330.77 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide
PubChem CID81442051
Molecular FormulaC13H12ClFN2O3S
Molecular Weight330.77 g/mol
Exact Mass330.02
IUPAC Name4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)ccc1N
InChIInChI=1S/C13H12ClFN2O3S/c1-20-13-7-9(3-5-12(13)16)21(18,19)17-8-2-4-10(14)11(15)6-8/h2-7,17H,16H2,1H3
InChIKeyHZJVFBUPGJXYCD-UHFFFAOYSA-N
XLogP2.87
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.77
LogP ≤ 52.87
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-chloro-3-methoxyphenyl)-4-fluorobenzenesulfonamide
CID 107620734
N-(4-amino-3-chlorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604461
4-amino-N-(2-chloro-5-fluorophenyl)-3-methoxybenzenesulfonamide
CID 107526733
N-(3-chloro-4-fluorophenyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 119041012
4-amino-3-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 81440404
N-(4-amino-3-methoxyphenyl)-3-chlorobenzenesulfonamide
CID 43605015
4-amino-N-(4-ethoxyphenyl)-3-methoxybenzenesulfonamide
CID 2330567
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
N-(3-amino-4-fluorophenyl)-3-fluoro-4-methoxybenzenesulfonamide
CID 43604875
4-amino-N-(4-ethylphenyl)-3-methoxybenzenesulfonamide
CID 81441768
3-amino-N-(4-chloro-3-methoxyphenyl)-4-hydroxybenzenesulfonamide
CID 107620728
1-(4-chloro-3-fluorophenyl)-3-[4-[(4-chlorophenyl)sulfamoyl]-2-methoxyphenyl]thiourea
CID 25040264

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide?
The IUPAC name of 4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide (CID 81442051) is 4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide.
What is the SMILES notation for 4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide?
The canonical SMILES for 4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide is COc1cc(S(=O)(=O)Nc2ccc(Cl)c(F)c2)ccc1N.
What is the InChIKey of 4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide?
The InChIKey is HZJVFBUPGJXYCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2O3S/c1-20-13-7-9(3-5-12(13)16)21(18,19)17-8-2-4-10(14)11(15)6-8/h2-7,17H,16H2,1H3.
What are the key properties of 4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide?
4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide has a molecular weight of 330.77 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-3-fluorophenyl)-3-methoxybenzenesulfonamide is sourced from PubChem (CID 81442051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).