3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide

C13H13FN2O2S — CID 103299973

IUPAC3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H13FN2O2S/c1-10-6-3-4-8-12(10)16(2)19(17,18)13-11(14)7-5-9-15-13/h3-9H,1-2H3
InChIKeyBPJQEIKCBZXEST-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.35
Rot. Bonds3

About 3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide

3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide (PubChem CID 103299973) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is 3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide
PubChem CID103299973
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC Name3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide
SMILESCc1ccccc1N(C)S(=O)(=O)c1ncccc1F
InChIInChI=1S/C13H13FN2O2S/c1-10-6-3-4-8-12(10)16(2)19(17,18)13-11(14)7-5-9-15-13/h3-9H,1-2H3
InChIKeyBPJQEIKCBZXEST-UHFFFAOYSA-N
XLogP2.35
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(Trifluoromethyl)pyridine-2-sulfonamide
CID 13910921
4-Methyl-N-pyridin-3-YL-benzenesulfonamide
CID 757406
4-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 676049
4-Methyl-N-pyridin-2-ylmethyl-benzenesulfonamide
CID 731623
BM-960102
CID 819349
2-Fluoro-1-methylpyridinium p-toluenesulfonate
CID 171631
4-Pyridin-3-ylbenzenesulfonamide
CID 110453853
4-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 688002
4-methyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 795996
3-(1-Tosylpyrrolidin-2-yl)pyridine
CID 2738278
4-methyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 651192
4-(2-Pyridin-2-ylethynyl)benzenesulfonamide
CID 44452471

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide?
The IUPAC name of 3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide (CID 103299973) is 3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide.
What is the SMILES notation for 3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide?
The canonical SMILES for 3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide is Cc1ccccc1N(C)S(=O)(=O)c1ncccc1F.
What is the InChIKey of 3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide?
The InChIKey is BPJQEIKCBZXEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-10-6-3-4-8-12(10)16(2)19(17,18)13-11(14)7-5-9-15-13/h3-9H,1-2H3.
What are the key properties of 3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide?
3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide has a molecular weight of 280.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-N-(2-methylphenyl)pyridine-2-sulfonamide is sourced from PubChem (CID 103299973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).