4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide

C13H12N4O3S — CID 107773041

IUPAC4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc2ncccc12)c1[nH]ncc1CO
InChIInChI=1S/C13H12N4O3S/c18-8-9-7-15-16-13(9)21(19,20)17-12-5-1-4-11-10(12)3-2-6-14-11/h1-7,17-18H,8H2,(H,15,16)
InChIKeyTZSZJNASPAPVIH-UHFFFAOYSA-N
MW304.33 g/mol
LogP1.25
Rot. Bonds4

About 4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide

4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide (PubChem CID 107773041) has the molecular formula C13H12N4O3S and a molecular weight of 304.33 g/mol. Its IUPAC name is 4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide
PubChem CID107773041
Molecular FormulaC13H12N4O3S
Molecular Weight304.33 g/mol
Exact Mass304.06
IUPAC Name4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1cccc2ncccc12)c1[nH]ncc1CO
InChIInChI=1S/C13H12N4O3S/c18-8-9-7-15-16-13(9)21(19,20)17-12-5-1-4-11-10(12)3-2-6-14-11/h1-7,17-18H,8H2,(H,15,16)
InChIKeyTZSZJNASPAPVIH-UHFFFAOYSA-N
XLogP1.25
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2,3,4,5,6-pentamethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3847613
1-phenyl-N-quinolin-5-ylmethanesulfonamide
CID 35282433
4-ethyl-N-quinolin-5-ylbenzenesulfonamide
CID 3753530
4-butyl-N-quinolin-5-ylbenzenesulfonamide
CID 3337546
3,4-dimethoxy-N-quinolin-5-ylbenzenesulfonamide
CID 35282374
N-(2-aminophenyl)quinoline-5-sulfonamide
CID 104773530
4-chloro-N-quinolin-5-ylbutane-1-sulfonamide
CID 116814822
N-(2-iodophenyl)quinoline-5-sulfonamide
CID 115601110
N-(1,3-dihydroxypropan-2-yl)quinoline-5-sulfonamide
CID 115755300
4-fluoro-2-methyl-N-quinolin-5-ylbenzenesulfonamide
CID 110734015
1-(1,2-benzoxazol-3-yl)-N-quinolin-5-ylmethanesulfonamide
CID 90624719
2-chloro-4-methyl-N-quinolin-5-yl-1,3-thiazole-5-sulfonamide
CID 43456143

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide (CID 107773041) is 4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1cccc2ncccc12)c1[nH]ncc1CO.
What is the InChIKey of 4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide?
The InChIKey is TZSZJNASPAPVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3S/c18-8-9-7-15-16-13(9)21(19,20)17-12-5-1-4-11-10(12)3-2-6-14-11/h1-7,17-18H,8H2,(H,15,16).
What are the key properties of 4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide?
4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide has a molecular weight of 304.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-N-quinolin-5-yl-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 107773041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).