N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide

C19H21N5O3S — CID 127397792

IUPACN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide
SMILESCc1cc(N2CCCC(NS(=O)(=O)c3ccc4ncccc4c3)C2=O)n(C)n1
InChIInChI=1S/C19H21N5O3S/c1-13-11-18(23(2)21-13)24-10-4-6-17(19(24)25)22-28(26,27)15-7-8-16-14(12-15)5-3-9-20-16/h3,5,7-9,11-12,17,22H,4,6,10H2,1-2H3
InChIKeyNKCSDZXFGMZNQF-UHFFFAOYSA-N
MW399.48 g/mol
LogP1.75
Rot. Bonds4

About N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide

N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide (PubChem CID 127397792) has the molecular formula C19H21N5O3S and a molecular weight of 399.48 g/mol. Its IUPAC name is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide
PubChem CID127397792
Molecular FormulaC19H21N5O3S
Molecular Weight399.48 g/mol
Exact Mass399.14
IUPAC NameN-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide
SMILESCc1cc(N2CCCC(NS(=O)(=O)c3ccc4ncccc4c3)C2=O)n(C)n1
InChIInChI=1S/C19H21N5O3S/c1-13-11-18(23(2)21-13)24-10-4-6-17(19(24)25)22-28(26,27)15-7-8-16-14(12-15)5-3-9-20-16/h3,5,7-9,11-12,17,22H,4,6,10H2,1-2H3
InChIKeyNKCSDZXFGMZNQF-UHFFFAOYSA-N
XLogP1.75
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.48
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide?
The IUPAC name of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide (CID 127397792) is N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide.
What is the SMILES notation for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide?
The canonical SMILES for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide is Cc1cc(N2CCCC(NS(=O)(=O)c3ccc4ncccc4c3)C2=O)n(C)n1.
What is the InChIKey of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide?
The InChIKey is NKCSDZXFGMZNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3S/c1-13-11-18(23(2)21-13)24-10-4-6-17(19(24)25)22-28(26,27)15-7-8-16-14(12-15)5-3-9-20-16/h3,5,7-9,11-12,17,22H,4,6,10H2,1-2H3.
What are the key properties of N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide?
N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide has a molecular weight of 399.48 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethylpyrazol-3-yl)-2-oxopiperidin-3-yl]quinoline-6-sulfonamide is sourced from PubChem (CID 127397792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).