N-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide

C18H21FN4O2S — CID 52713782

IUPACN-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1c(C)nn(Cc2cc(F)cc3cccnc23)c1C
InChIInChI=1S/C18H21FN4O2S/c1-5-22(4)26(24,25)18-12(2)21-23(13(18)3)11-15-10-16(19)9-14-7-6-8-20-17(14)15/h6-10H,5,11H2,1-4H3
InChIKeyKKRDXXNVTIZFSY-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.88
Rot. Bonds5

About N-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide

N-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide (PubChem CID 52713782) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is N-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide
PubChem CID52713782
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC NameN-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide
SMILESCCN(C)S(=O)(=O)c1c(C)nn(Cc2cc(F)cc3cccnc23)c1C
InChIInChI=1S/C18H21FN4O2S/c1-5-22(4)26(24,25)18-12(2)21-23(13(18)3)11-15-10-16(19)9-14-7-6-8-20-17(14)15/h6-10H,5,11H2,1-4H3
InChIKeyKKRDXXNVTIZFSY-UHFFFAOYSA-N
XLogP2.88
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
The IUPAC name of N-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide (CID 52713782) is N-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide is CCN(C)S(=O)(=O)c1c(C)nn(Cc2cc(F)cc3cccnc23)c1C.
What is the InChIKey of N-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
The InChIKey is KKRDXXNVTIZFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c1-5-22(4)26(24,25)18-12(2)21-23(13(18)3)11-15-10-16(19)9-14-7-6-8-20-17(14)15/h6-10H,5,11H2,1-4H3.
What are the key properties of N-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide?
N-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide has a molecular weight of 376.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[(6-fluoroquinolin-8-yl)methyl]-N,3,5-trimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 52713782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).