4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide

C18H13ClF2N2O2S — CID 22747285

IUPAC4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cc1Cl
InChIInChI=1S/C18H13ClF2N2O2S/c1-10-4-5-11(7-14(10)19)12-3-2-6-23-18(12)13-8-16(21)17(9-15(13)20)26(22,24)25/h2-9H,1H3,(H2,22,24,25)
InChIKeyUUPALYHOSMHAPC-UHFFFAOYSA-N
MW394.83 g/mol
LogP4.30
Rot. Bonds3

About 4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide

4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide (PubChem CID 22747285) has the molecular formula C18H13ClF2N2O2S and a molecular weight of 394.83 g/mol. Its IUPAC name is 4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide
PubChem CID22747285
Molecular FormulaC18H13ClF2N2O2S
Molecular Weight394.83 g/mol
Exact Mass394.04
IUPAC Name4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide
SMILESCc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cc1Cl
InChIInChI=1S/C18H13ClF2N2O2S/c1-10-4-5-11(7-14(10)19)12-3-2-6-23-18(12)13-8-16(21)17(9-15(13)20)26(22,24)25/h2-9H,1H3,(H2,22,24,25)
InChIKeyUUPALYHOSMHAPC-UHFFFAOYSA-N
XLogP4.30
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.83
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide?
The IUPAC name of 4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide (CID 22747285) is 4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for 4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide?
The canonical SMILES for 4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide is Cc1ccc(-c2cccnc2-c2cc(F)c(S(N)(=O)=O)cc2F)cc1Cl.
What is the InChIKey of 4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide?
The InChIKey is UUPALYHOSMHAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF2N2O2S/c1-10-4-5-11(7-14(10)19)12-3-2-6-23-18(12)13-8-16(21)17(9-15(13)20)26(22,24)25/h2-9H,1H3,(H2,22,24,25).
What are the key properties of 4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide?
4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide has a molecular weight of 394.83 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chloro-4-methylphenyl)-2-pyridinyl]-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 22747285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).