4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide

C18H14F2N2O2S — CID 10713528

IUPAC4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C18H14F2N2O2S/c1-11-2-3-13(10-22-11)16-9-18(20)17(19)8-15(16)12-4-6-14(7-5-12)25(21,23)24/h2-10H,1H3,(H2,21,23,24)
InChIKeyNVDWWXSVMQNLOI-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.65
Rot. Bonds3

About 4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide

4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide (PubChem CID 10713528) has the molecular formula C18H14F2N2O2S and a molecular weight of 360.39 g/mol. Its IUPAC name is 4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide
PubChem CID10713528
Molecular FormulaC18H14F2N2O2S
Molecular Weight360.39 g/mol
Exact Mass360.07
IUPAC Name4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide
SMILESCc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cn1
InChIInChI=1S/C18H14F2N2O2S/c1-11-2-3-13(10-22-11)16-9-18(20)17(19)8-15(16)12-4-6-14(7-5-12)25(21,23)24/h2-10H,1H3,(H2,21,23,24)
InChIKeyNVDWWXSVMQNLOI-UHFFFAOYSA-N
XLogP3.65
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide (CID 10713528) is 4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide is Cc1ccc(-c2cc(F)c(F)cc2-c2ccc(S(N)(=O)=O)cc2)cn1.
What is the InChIKey of 4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
The InChIKey is NVDWWXSVMQNLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2S/c1-11-2-3-13(10-22-11)16-9-18(20)17(19)8-15(16)12-4-6-14(7-5-12)25(21,23)24/h2-10H,1H3,(H2,21,23,24).
What are the key properties of 4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide?
4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide has a molecular weight of 360.39 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-difluoro-2-(6-methyl-3-pyridinyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10713528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).