3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide

C13H17FN4O2S — CID 107325827

IUPAC3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)NCc1ccnn1C
InChIInChI=1S/C13H17FN4O2S/c1-8-6-11(14)12(15)9(2)13(8)21(19,20)17-7-10-4-5-16-18(10)3/h4-6,17H,7,15H2,1-3H3
InChIKeyAPJPOOZTWYRCAY-UHFFFAOYSA-N
MW312.37 g/mol
LogP1.24
Rot. Bonds4

About 3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide

3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (PubChem CID 107325827) has the molecular formula C13H17FN4O2S and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
PubChem CID107325827
Molecular FormulaC13H17FN4O2S
Molecular Weight312.37 g/mol
Exact Mass312.11
IUPAC Name3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)NCc1ccnn1C
InChIInChI=1S/C13H17FN4O2S/c1-8-6-11(14)12(15)9(2)13(8)21(19,20)17-7-10-4-5-16-18(10)3/h4-6,17H,7,15H2,1-3H3
InChIKeyAPJPOOZTWYRCAY-UHFFFAOYSA-N
XLogP1.24
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide 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-2,4-difluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 63304324
4-amino-3-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 82844185
5-amino-4-bromo-2-fluoro-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 116530327
3-amino-4-fluoro-2,6-dimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 107325579
2-amino-4,6-dibromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 63304710
5-amino-2-bromo-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 65206650
5-amino-2-methyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 79896397
3-bromo-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 71982239
2-fluoro-5-methyl-3-[(2-methylpyrazol-3-yl)methylsulfamoyl]benzoic acid
CID 99822253
3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 107325687
3-amino-4-fluoro-N-[(2R)-2-hydroxypropyl]-2,6-dimethylbenzenesulfonamide
CID 107326349
3-amino-4-fluoro-2,6-dimethyl-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 107325821

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide (CID 107325827) is 3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is Cc1cc(F)c(N)c(C)c1S(=O)(=O)NCc1ccnn1C.
What is the InChIKey of 3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is APJPOOZTWYRCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN4O2S/c1-8-6-11(14)12(15)9(2)13(8)21(19,20)17-7-10-4-5-16-18(10)3/h4-6,17H,7,15H2,1-3H3.
What are the key properties of 3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide?
3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 312.37 g/mol, XLogP of 1.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-2,6-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 107325827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).