N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide

C18H14ClFN2O2S — CID 11595965

IUPACN-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)ccc1-c1ccccc1Cl
InChIInChI=1S/C18H14ClFN2O2S/c1-12-15(16-4-2-3-5-17(16)19)10-11-18(21-12)22-25(23,24)14-8-6-13(20)7-9-14/h2-11H,1H3,(H,21,22)
InChIKeyDFHZPAIPRNDHJC-UHFFFAOYSA-N
MW376.84 g/mol
LogP4.65
Rot. Bonds4

About N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide

N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 11595965) has the molecular formula C18H14ClFN2O2S and a molecular weight of 376.84 g/mol. Its IUPAC name is N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID11595965
Molecular FormulaC18H14ClFN2O2S
Molecular Weight376.84 g/mol
Exact Mass376.04
IUPAC NameN-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2ccc(F)cc2)ccc1-c1ccccc1Cl
InChIInChI=1S/C18H14ClFN2O2S/c1-12-15(16-4-2-3-5-17(16)19)10-11-18(21-12)22-25(23,24)14-8-6-13(20)7-9-14/h2-11H,1H3,(H,21,22)
InChIKeyDFHZPAIPRNDHJC-UHFFFAOYSA-N
XLogP4.65
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-tert-butyl-N-(6-methylpyridin-2-yl)benzenesulfonamide
CID 815224
N-(Pyridin-2-yl) arylsulfonamide, 12
CID 3812801
Biphenyl-4-sulfonic acid (6-methyl-pyridin-2-yl)-amide
CID 4982676
N-(Pyridin-2-yl) arylsulfonamide, 11
CID 44143306
N-(Pyridin-2-yl) arylsulfonamide, 19
CID 44143308
N-(Pyridin-2-yl) arylsulfonamide, 20
CID 44143309
N-(Pyridin-2-yl) arylsulfonamide, 21
CID 44143310
N-(Pyridin-2-yl) arylsulfonamide, 22
CID 44143311
N-(Pyridin-2-yl) arylsulfonamide, 23
CID 44143312
N-(4,6-dimethyl-2-pyridinyl)-4-(2-methylpropyl)benzenesulfonamide
CID 778279
4-Chloro-N-(6-methyl-pyridin-2-yl)-benzenesulfonamide
CID 686176
N-(Pyridin-2-yl) arylsulfonamide, 13
CID 44143307

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide (CID 11595965) is N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide is Cc1nc(NS(=O)(=O)c2ccc(F)cc2)ccc1-c1ccccc1Cl.
What is the InChIKey of N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is DFHZPAIPRNDHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2S/c1-12-15(16-4-2-3-5-17(16)19)10-11-18(21-12)22-25(23,24)14-8-6-13(20)7-9-14/h2-11H,1H3,(H,21,22).
What are the key properties of N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 376.84 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chlorophenyl)-6-methyl-2-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 11595965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).