N-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide

C19H13F2N3O2S — CID 134367361

IUPACN-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(F)c2)ccc1-c1ccc(F)c(C#N)n1
InChIInChI=1S/C19H13F2N3O2S/c1-12-9-14(24-27(25,26)15-4-2-3-13(20)10-15)5-6-16(12)18-8-7-17(21)19(11-22)23-18/h2-10,24H,1H3
InChIKeyNSFJQVVMRSUHEI-UHFFFAOYSA-N
MW385.40 g/mol
LogP4.01
Rot. Bonds4

About N-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide

N-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide (PubChem CID 134367361) has the molecular formula C19H13F2N3O2S and a molecular weight of 385.40 g/mol. Its IUPAC name is N-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide
PubChem CID134367361
Molecular FormulaC19H13F2N3O2S
Molecular Weight385.40 g/mol
Exact Mass385.07
IUPAC NameN-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc(F)c2)ccc1-c1ccc(F)c(C#N)n1
InChIInChI=1S/C19H13F2N3O2S/c1-12-9-14(24-27(25,26)15-4-2-3-13(20)10-15)5-6-16(12)18-8-7-17(21)19(11-22)23-18/h2-10,24H,1H3
InChIKeyNSFJQVVMRSUHEI-UHFFFAOYSA-N
XLogP4.01
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide (CID 134367361) is N-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide is Cc1cc(NS(=O)(=O)c2cccc(F)c2)ccc1-c1ccc(F)c(C#N)n1.
What is the InChIKey of N-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide?
The InChIKey is NSFJQVVMRSUHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2N3O2S/c1-12-9-14(24-27(25,26)15-4-2-3-13(20)10-15)5-6-16(12)18-8-7-17(21)19(11-22)23-18/h2-10,24H,1H3.
What are the key properties of N-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide?
N-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide has a molecular weight of 385.40 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-cyano-5-fluoro-2-pyridinyl)-3-methylphenyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 134367361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).