5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C13H13F2N3O2S — CID 43563355

IUPAC5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cccnc1)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H13F2N3O2S/c1-18(8-9-3-2-4-17-7-9)21(19,20)13-6-12(16)10(14)5-11(13)15/h2-7H,8,16H2,1H3
InChIKeyLJWPFDPXRCHGJT-UHFFFAOYSA-N
MW313.33 g/mol
LogP1.76
Rot. Bonds4

About 5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 43563355) has the molecular formula C13H13F2N3O2S and a molecular weight of 313.33 g/mol. Its IUPAC name is 5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID43563355
Molecular FormulaC13H13F2N3O2S
Molecular Weight313.33 g/mol
Exact Mass313.07
IUPAC Name5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCN(Cc1cccnc1)S(=O)(=O)c1cc(N)c(F)cc1F
InChIInChI=1S/C13H13F2N3O2S/c1-18(8-9-3-2-4-17-7-9)21(19,20)13-6-12(16)10(14)5-11(13)15/h2-7H,8,16H2,1H3
InChIKeyLJWPFDPXRCHGJT-UHFFFAOYSA-N
XLogP1.76
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 47103942
4-bromo-2-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 116528118
2-amino-N,4,5-trimethyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 43563351
2-fluoro-4-(hydroxymethyl)-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 79178544
5-amino-2,4-difluoro-N-(furan-3-ylmethyl)-N-methylbenzenesulfonamide
CID 61421440
4-bromo-3-fluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 103697191
2-hydrazinyl-N-methyl-N-(pyridin-3-ylmethyl)pyridine-3-sulfonamide
CID 43563717
N-methyl-2-phenyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 86922552
N-methyl-N-(pyridin-3-ylmethyl)methanesulfonamide
CID 58150961
5-amino-N-[2-(dimethylamino)ethyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 55226750
2-[methyl(pyridin-3-ylmethyl)sulfamoyl]benzoic acid
CID 43471408
5-amino-N-[(5-chlorothiophen-2-yl)methyl]-2,4-difluoro-N-methylbenzenesulfonamide
CID 61125967

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 43563355) is 5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is CN(Cc1cccnc1)S(=O)(=O)c1cc(N)c(F)cc1F.
What is the InChIKey of 5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is LJWPFDPXRCHGJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O2S/c1-18(8-9-3-2-4-17-7-9)21(19,20)13-6-12(16)10(14)5-11(13)15/h2-7H,8,16H2,1H3.
What are the key properties of 5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 313.33 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,4-difluoro-N-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 43563355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).