5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide

C11H11FN4O2S — CID 107587452

IUPAC5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cncnc2)c1F
InChIInChI=1S/C11H11FN4O2S/c1-7-2-8(13)3-10(11(7)12)19(17,18)16-9-4-14-6-15-5-9/h2-6,16H,13H2,1H3
InChIKeyOUYQOERWTZLVBX-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.31
Rot. Bonds3

About 5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide

5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide (PubChem CID 107587452) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide
PubChem CID107587452
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2cncnc2)c1F
InChIInChI=1S/C11H11FN4O2S/c1-7-2-8(13)3-10(11(7)12)19(17,18)16-9-4-14-6-15-5-9/h2-6,16H,13H2,1H3
InChIKeyOUYQOERWTZLVBX-UHFFFAOYSA-N
XLogP1.31
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide 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

5-amino-N-(3,5-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629045
5-amino-N-(3,4-dichlorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629046
5-amino-2-fluoro-3-methyl-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617116
5-amino-N-(3-chloro-4-fluorophenyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80629247
5-amino-2-fluoro-3-methyl-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 80646555
5-amino-2-fluoro-3-methyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 80646356
5-amino-2-fluoro-N-(1H-imidazol-2-yl)-3-methylbenzenesulfonamide
CID 80645994
5-amino-N-(2-chloropyrimidin-4-yl)-2-fluoro-3-methylbenzenesulfonamide
CID 116794695
5-amino-2-chloro-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587461
5-amino-2-methoxy-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587497
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80641824
5-amino-2-methoxy-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587489

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide (CID 107587452) is 5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2cncnc2)c1F.
What is the InChIKey of 5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide?
The InChIKey is OUYQOERWTZLVBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c1-7-2-8(13)3-10(11(7)12)19(17,18)16-9-4-14-6-15-5-9/h2-6,16H,13H2,1H3.
What are the key properties of 5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide?
5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide has a molecular weight of 282.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-3-methyl-N-pyrimidin-5-ylbenzenesulfonamide is sourced from PubChem (CID 107587452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).