N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide

C20H17FN4O3S — CID 31914225

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(F)c3ncccc23)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H17FN4O3S/c1-13-18(20(26)25(24(13)2)14-7-4-3-5-8-14)23-29(27,28)17-11-10-16(21)19-15(17)9-6-12-22-19/h3-12,23H,1-2H3
InChIKeyGEAAIRIWJNMBJR-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.97
Rot. Bonds4

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide (PubChem CID 31914225) has the molecular formula C20H17FN4O3S and a molecular weight of 412.45 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide
PubChem CID31914225
Molecular FormulaC20H17FN4O3S
Molecular Weight412.45 g/mol
Exact Mass412.10
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(F)c3ncccc23)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C20H17FN4O3S/c1-13-18(20(26)25(24(13)2)14-7-4-3-5-8-14)23-29(27,28)17-11-10-16(21)19-15(17)9-6-12-22-19/h3-12,23H,1-2H3
InChIKeyGEAAIRIWJNMBJR-UHFFFAOYSA-N
XLogP2.97
TPSA85.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide (CID 31914225) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide is Cc1c(NS(=O)(=O)c2ccc(F)c3ncccc23)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide?
The InChIKey is GEAAIRIWJNMBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S/c1-13-18(20(26)25(24(13)2)14-7-4-3-5-8-14)23-29(27,28)17-11-10-16(21)19-15(17)9-6-12-22-19/h3-12,23H,1-2H3.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide has a molecular weight of 412.45 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-8-fluoroquinoline-5-sulfonamide is sourced from PubChem (CID 31914225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).