2-amino-3-fluoro-5-methoxybenzenesulfonamide

C7H9FN2O3S — CID 18007473

IUPAC2-amino-3-fluoro-5-methoxybenzenesulfonamide
SMILESCOc1cc(F)c(N)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H9FN2O3S/c1-13-4-2-5(8)7(9)6(3-4)14(10,11)12/h2-3H,9H2,1H3,(H2,10,11,12)
InChIKeyAGUACUOLFWKSEB-UHFFFAOYSA-N
MW220.22 g/mol
LogP0.06
Rot. Bonds2

About 2-amino-3-fluoro-5-methoxybenzenesulfonamide

2-amino-3-fluoro-5-methoxybenzenesulfonamide (PubChem CID 18007473) has the molecular formula C7H9FN2O3S and a molecular weight of 220.22 g/mol. Its IUPAC name is 2-amino-3-fluoro-5-methoxybenzenesulfonamide.

Molecular Properties

Compound Name2-amino-3-fluoro-5-methoxybenzenesulfonamide
PubChem CID18007473
Molecular FormulaC7H9FN2O3S
Molecular Weight220.22 g/mol
Exact Mass220.03
IUPAC Name2-amino-3-fluoro-5-methoxybenzenesulfonamide
SMILESCOc1cc(F)c(N)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H9FN2O3S/c1-13-4-2-5(8)7(9)6(3-4)14(10,11)12/h2-3H,9H2,1H3,(H2,10,11,12)
InChIKeyAGUACUOLFWKSEB-UHFFFAOYSA-N
XLogP0.06
TPSA95.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-amino-3-fluoro-5-methoxybenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-fluoro-2-formyl-5-methoxybenzenesulfonamide
CID 89218777
2-amino-4-fluoro-5-methoxybenzenesulfonamide
CID 18007448
2,6-difluoro-4-methoxybenzenesulfonyl chloride
CID 54592549
1-fluoro-4-methoxy-2-methylsulfonylbenzene
CID 69311916
2,6-dibromo-4-methoxyaniline
CID 542895
2-fluoro-5-(4-methoxyphenyl)-3-sulfamoylbenzenesulfonic acid
CID 172763228
2-fluoro-4-methoxybenzenesulfonic acid;hydrochloride
CID 174836011
2-fluoro-4-methoxyaniline
CID 3756383
N,N-diethyl-4-methoxy-2-propan-2-yl-6-sulfamoyl(14C)benzamide
CID 10568427
3-methoxy-5-(trifluoromethyl)benzenesulfonamide
CID 134627197
2-formyl-4-methoxybenzenesulfonamide
CID 102084002
(3-fluoro-5-methoxyphenyl)methanesulfonamide
CID 165443567

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-fluoro-5-methoxybenzenesulfonamide?
The IUPAC name of 2-amino-3-fluoro-5-methoxybenzenesulfonamide (CID 18007473) is 2-amino-3-fluoro-5-methoxybenzenesulfonamide.
What is the SMILES notation for 2-amino-3-fluoro-5-methoxybenzenesulfonamide?
The canonical SMILES for 2-amino-3-fluoro-5-methoxybenzenesulfonamide is COc1cc(F)c(N)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-amino-3-fluoro-5-methoxybenzenesulfonamide?
The InChIKey is AGUACUOLFWKSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2O3S/c1-13-4-2-5(8)7(9)6(3-4)14(10,11)12/h2-3H,9H2,1H3,(H2,10,11,12).
What are the key properties of 2-amino-3-fluoro-5-methoxybenzenesulfonamide?
2-amino-3-fluoro-5-methoxybenzenesulfonamide has a molecular weight of 220.22 g/mol, XLogP of 0.06, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-fluoro-5-methoxybenzenesulfonamide is sourced from PubChem (CID 18007473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).