N-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide

C10H8ClFN4O2S2 — CID 110190604

IUPACN-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide
SMILESCSc1nc(Cl)nc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C10H8ClFN4O2S2/c1-19-10-14-8(11)13-9(15-10)16-20(17,18)7-4-2-6(12)3-5-7/h2-5H,1H3,(H,13,14,15,16)
InChIKeyLFUGEQBUSWTVQB-UHFFFAOYSA-N
MW334.79 g/mol
LogP2.19
Rot. Bonds4

About N-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide

N-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide (PubChem CID 110190604) has the molecular formula C10H8ClFN4O2S2 and a molecular weight of 334.79 g/mol. Its IUPAC name is N-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide
PubChem CID110190604
Molecular FormulaC10H8ClFN4O2S2
Molecular Weight334.79 g/mol
Exact Mass333.98
IUPAC NameN-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide
SMILESCSc1nc(Cl)nc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C10H8ClFN4O2S2/c1-19-10-14-8(11)13-9(15-10)16-20(17,18)7-4-2-6(12)3-5-7/h2-5H,1H3,(H,13,14,15,16)
InChIKeyLFUGEQBUSWTVQB-UHFFFAOYSA-N
XLogP2.19
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.79
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide (CID 110190604) is N-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide is CSc1nc(Cl)nc(NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide?
The InChIKey is LFUGEQBUSWTVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClFN4O2S2/c1-19-10-14-8(11)13-9(15-10)16-20(17,18)7-4-2-6(12)3-5-7/h2-5H,1H3,(H,13,14,15,16).
What are the key properties of N-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide?
N-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide has a molecular weight of 334.79 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-methylsulfanyl-1,3,5-triazin-2-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 110190604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).