N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide

C13H12N4O2S — CID 104774020

IUPACN-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide
SMILESO=S(=O)(NCc1cn[nH]c1)c1cccc2ncccc12
InChIInChI=1S/C13H12N4O2S/c18-20(19,17-9-10-7-15-16-8-10)13-5-1-4-12-11(13)3-2-6-14-12/h1-8,17H,9H2,(H,15,16)
InChIKeyZIFZAGMWBDEGJC-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.44
Rot. Bonds4

About N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide

N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide (PubChem CID 104774020) has the molecular formula C13H12N4O2S and a molecular weight of 288.33 g/mol. Its IUPAC name is N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide.

Molecular Properties

Compound NameN-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide
PubChem CID104774020
Molecular FormulaC13H12N4O2S
Molecular Weight288.33 g/mol
Exact Mass288.07
IUPAC NameN-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide
SMILESO=S(=O)(NCc1cn[nH]c1)c1cccc2ncccc12
InChIInChI=1S/C13H12N4O2S/c18-20(19,17-9-10-7-15-16-8-10)13-5-1-4-12-11(13)3-2-6-14-12/h1-8,17H,9H2,(H,15,16)
InChIKeyZIFZAGMWBDEGJC-UHFFFAOYSA-N
XLogP1.44
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrimidin-2-ylmethyl)quinoline-5-sulfonamide
CID 166368628
2-(methylaminomethyl)-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 106016129
2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897073
N-(3-chlorobutyl)quinoline-5-sulfonamide
CID 113451724
3-fluoro-2-nitro-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 115992191
N-(6-hydroxyhexyl)quinoline-5-sulfonamide
CID 103918476
3-methyl-N-(1H-pyrazol-4-ylmethyl)benzenesulfonamide
CID 54897411
N-[3-(propan-2-ylamino)propyl]quinoline-5-sulfonamide
CID 115752345
N-(piperidin-2-ylmethyl)quinoline-5-sulfonamide
CID 115752247
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
N-(pyridin-3-ylmethyl)naphthalene-1-sulfonamide
CID 84549972
N-(3-amino-4-methoxybutyl)quinoline-5-sulfonamide
CID 106243751

Frequently Asked Questions

What is the IUPAC name of N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide?
The IUPAC name of N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide (CID 104774020) is N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide.
What is the SMILES notation for N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide?
The canonical SMILES for N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide is O=S(=O)(NCc1cn[nH]c1)c1cccc2ncccc12.
What is the InChIKey of N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide?
The InChIKey is ZIFZAGMWBDEGJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2S/c18-20(19,17-9-10-7-15-16-8-10)13-5-1-4-12-11(13)3-2-6-14-12/h1-8,17H,9H2,(H,15,16).
What are the key properties of N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide?
N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-pyrazol-4-ylmethyl)quinoline-5-sulfonamide is sourced from PubChem (CID 104774020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).