5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide

C14H16FN3O2S — CID 114931837

IUPAC5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cc(N)cc(F)c2C)c1
InChIInChI=1S/C14H16FN3O2S/c1-8-4-9(2)17-14(5-8)18-21(19,20)13-7-11(16)6-12(15)10(13)3/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyPECXIQNDWIYUFI-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.53
Rot. Bonds3

About 5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide

5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide (PubChem CID 114931837) has the molecular formula C14H16FN3O2S and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide
PubChem CID114931837
Molecular FormulaC14H16FN3O2S
Molecular Weight309.37 g/mol
Exact Mass309.09
IUPAC Name5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide
SMILESCc1cc(C)nc(NS(=O)(=O)c2cc(N)cc(F)c2C)c1
InChIInChI=1S/C14H16FN3O2S/c1-8-4-9(2)17-14(5-8)18-21(19,20)13-7-11(16)6-12(15)10(13)3/h4-7H,16H2,1-3H3,(H,17,18)
InChIKeyPECXIQNDWIYUFI-UHFFFAOYSA-N
XLogP2.53
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.53
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

5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898902
5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116786202
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624
5-amino-3-fluoro-N-(1H-imidazol-2-yl)-2-methylbenzenesulfonamide
CID 79895976
5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
CID 79896534
5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 79897021
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
5-amino-N-(2,5-dichlorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898634
N-(4,6-dimethyl-2-pyridinyl)-4-iodobenzenesulfonamide
CID 4992211
5-amino-3-fluoro-2-methyl-N-propylbenzenesulfonamide
CID 79896105
5-amino-N-(3-chloro-2-fluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898910

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide?
The IUPAC name of 5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide (CID 114931837) is 5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide?
The canonical SMILES for 5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide is Cc1cc(C)nc(NS(=O)(=O)c2cc(N)cc(F)c2C)c1.
What is the InChIKey of 5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide?
The InChIKey is PECXIQNDWIYUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2S/c1-8-4-9(2)17-14(5-8)18-21(19,20)13-7-11(16)6-12(15)10(13)3/h4-7H,16H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide?
5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide has a molecular weight of 309.37 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide is sourced from PubChem (CID 114931837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).