N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide

C15H16N4O3S — CID 154838624

IUPACN-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide
SMILESCOCCn1cc(NS(=O)(=O)c2ccc3ncccc3c2)cn1
InChIInChI=1S/C15H16N4O3S/c1-22-8-7-19-11-13(10-17-19)18-23(20,21)14-4-5-15-12(9-14)3-2-6-16-15/h2-6,9-11,18H,7-8H2,1H3
InChIKeyJKSVEVPUQJFSCH-UHFFFAOYSA-N
MW332.39 g/mol
LogP1.88
Rot. Bonds6

About N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide

N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide (PubChem CID 154838624) has the molecular formula C15H16N4O3S and a molecular weight of 332.39 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide
PubChem CID154838624
Molecular FormulaC15H16N4O3S
Molecular Weight332.39 g/mol
Exact Mass332.09
IUPAC NameN-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide
SMILESCOCCn1cc(NS(=O)(=O)c2ccc3ncccc3c2)cn1
InChIInChI=1S/C15H16N4O3S/c1-22-8-7-19-11-13(10-17-19)18-23(20,21)14-4-5-15-12(9-14)3-2-6-16-15/h2-6,9-11,18H,7-8H2,1H3
InChIKeyJKSVEVPUQJFSCH-UHFFFAOYSA-N
XLogP1.88
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.39
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-hydrazinyl-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-2-sulfonamide
CID 103301171
N-(2-anilino-3-pyridinyl)-1-(2-methoxyethyl)pyrazole-4-sulfonamide
CID 75392092
N-(3-methylsulfinylphenyl)quinoline-6-sulfonamide
CID 154838617
1-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]methanesulfonamide
CID 63664953
2-amino-5-bromo-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-sulfonamide
CID 62153432
N-[1-[(4-methylphenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22205075
2-chloro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 61052437
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]naphthalene-2-sulfonamide
CID 22204834
6-oxo-N-quinolin-6-yl-1H-pyridine-3-sulfonamide
CID 62636555
3,4-dimethoxy-N-quinolin-3-ylbenzenesulfonamide
CID 795443
N-quinolin-6-ylethanesulfonamide
CID 64584546
2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyridine-3-carbonitrile
CID 60967015

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide?
The IUPAC name of N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide (CID 154838624) is N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide.
What is the SMILES notation for N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide?
The canonical SMILES for N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide is COCCn1cc(NS(=O)(=O)c2ccc3ncccc3c2)cn1.
What is the InChIKey of N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide?
The InChIKey is JKSVEVPUQJFSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3S/c1-22-8-7-19-11-13(10-17-19)18-23(20,21)14-4-5-15-12(9-14)3-2-6-16-15/h2-6,9-11,18H,7-8H2,1H3.
What are the key properties of N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide?
N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide has a molecular weight of 332.39 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)pyrazol-4-yl]quinoline-6-sulfonamide is sourced from PubChem (CID 154838624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).