4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide

C19H16F2N2O2S — CID 22745423

IUPAC4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)c(F)c2)cc1C
InChIInChI=1S/C19H16F2N2O2S/c1-11-5-6-13(8-12(11)2)15-4-3-7-23-18(15)14-9-16(20)19(17(21)10-14)26(22,24)25/h3-10H,1-2H3,(H2,22,24,25)
InChIKeyPAEGVTXWLOUFSC-UHFFFAOYSA-N
MW374.41 g/mol
LogP3.96
Rot. Bonds3

About 4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide

4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide (PubChem CID 22745423) has the molecular formula C19H16F2N2O2S and a molecular weight of 374.41 g/mol. Its IUPAC name is 4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide
PubChem CID22745423
Molecular FormulaC19H16F2N2O2S
Molecular Weight374.41 g/mol
Exact Mass374.09
IUPAC Name4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)c(F)c2)cc1C
InChIInChI=1S/C19H16F2N2O2S/c1-11-5-6-13(8-12(11)2)15-4-3-7-23-18(15)14-9-16(20)19(17(21)10-14)26(22,24)25/h3-10H,1-2H3,(H2,22,24,25)
InChIKeyPAEGVTXWLOUFSC-UHFFFAOYSA-N
XLogP3.96
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide?
The IUPAC name of 4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide (CID 22745423) is 4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide?
The canonical SMILES for 4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide is Cc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)c(F)c2)cc1C.
What is the InChIKey of 4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide?
The InChIKey is PAEGVTXWLOUFSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2S/c1-11-5-6-13(8-12(11)2)15-4-3-7-23-18(15)14-9-16(20)19(17(21)10-14)26(22,24)25/h3-10H,1-2H3,(H2,22,24,25).
What are the key properties of 4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide?
4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide has a molecular weight of 374.41 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3,4-dimethylphenyl)-2-pyridinyl]-2,6-difluorobenzenesulfonamide is sourced from PubChem (CID 22745423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).