3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide

C12H10F2N2O2S — CID 6465750

IUPAC3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H10F2N2O2S/c1-8-4-5-15-12(6-8)16-19(17,18)9-2-3-10(13)11(14)7-9/h2-7H,1H3,(H,15,16)
InChIKeyIROXQMROTFIROF-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.47
Rot. Bonds3

About 3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide

3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 6465750) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is 3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID6465750
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC Name3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C12H10F2N2O2S/c1-8-4-5-15-12(6-8)16-19(17,18)9-2-3-10(13)11(14)7-9/h2-7H,1H3,(H,15,16)
InChIKeyIROXQMROTFIROF-UHFFFAOYSA-N
XLogP2.47
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide (CID 6465750) is 3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccnc(NS(=O)(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is IROXQMROTFIROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c1-8-4-5-15-12(6-8)16-19(17,18)9-2-3-10(13)11(14)7-9/h2-7H,1H3,(H,15,16).
What are the key properties of 3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide?
3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 284.29 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-(4-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 6465750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).