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

C13H13FN2O3S — CID 82843846

IUPAC4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(N)c(F)c2)c1
InChIInChI=1S/C13H13FN2O3S/c1-19-10-4-2-3-9(7-10)16-20(17,18)11-5-6-13(15)12(14)8-11/h2-8,16H,15H2,1H3
InChIKeySPVLFWIQWPLZSB-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.22
Rot. Bonds4

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

4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 82843846) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is 4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID82843846
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC Name4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(NS(=O)(=O)c2ccc(N)c(F)c2)c1
InChIInChI=1S/C13H13FN2O3S/c1-19-10-4-2-3-9(7-10)16-20(17,18)11-5-6-13(15)12(14)8-11/h2-8,16H,15H2,1H3
InChIKeySPVLFWIQWPLZSB-UHFFFAOYSA-N
XLogP2.22
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.22
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-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 5089325
4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 819759
5-amino-2-chloro-4-fluoro-N-(3-methoxyphenyl)benzenesulfonamide
CID 61112072
3-N-(3-methoxyphenyl)benzene-1,3-disulfonamide
CID 31064512
2-amino-N-(3-methoxyphenyl)pyridine-4-sulfonamide
CID 55043864
4-amino-3-fluoro-N-(2-methoxyphenyl)benzenesulfonamide
CID 82843777
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
3,4-dichloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 7745694
4-amino-N-(3-ethynylphenyl)-3-fluorobenzenesulfonamide
CID 82844472
4-fluoro-N-[2-fluoro-4-[(3-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18893464
4-chloro-N-[2-fluoro-4-[(3-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 18892649
3-amino-N-(3-methoxyphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257405

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide (CID 82843846) is 4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide is COc1cccc(NS(=O)(=O)c2ccc(N)c(F)c2)c1.
What is the InChIKey of 4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is SPVLFWIQWPLZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c1-19-10-4-2-3-9(7-10)16-20(17,18)11-5-6-13(15)12(14)8-11/h2-8,16H,15H2,1H3.
What are the key properties of 4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide?
4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 296.32 g/mol, XLogP of 2.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-fluoro-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 82843846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).