N-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide

C14H14N4O2S — CID 4686459

IUPACN-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc3cccnc23)n(C)n1
InChIInChI=1S/C14H14N4O2S/c1-10-9-13(18(2)16-10)17-21(19,20)12-7-3-5-11-6-4-8-15-14(11)12/h3-9,17H,1-2H3
InChIKeyXXXXRUWKCXFVLW-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.08
Rot. Bonds3

About N-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide

N-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide (PubChem CID 4686459) has the molecular formula C14H14N4O2S and a molecular weight of 302.36 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide
PubChem CID4686459
Molecular FormulaC14H14N4O2S
Molecular Weight302.36 g/mol
Exact Mass302.08
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide
SMILESCc1cc(NS(=O)(=O)c2cccc3cccnc23)n(C)n1
InChIInChI=1S/C14H14N4O2S/c1-10-9-13(18(2)16-10)17-21(19,20)12-7-3-5-11-6-4-8-15-14(11)12/h3-9,17H,1-2H3
InChIKeyXXXXRUWKCXFVLW-UHFFFAOYSA-N
XLogP2.08
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-tert-butylsulfonyl-N-(4,5-dimethyl-1H-pyrazol-3-yl)quinolin-4-amine
CID 56649284
N-[[1-[(1-isopropylpyrazol-4-yl)methyl]-3-piperidyl]methyl]quinoline-8-sulfonamide
CID 24818878
N-[3-(3-nitro-1,2,4-triazol-1-yl)propyl]quinoline-8-sulfonamide
CID 60155815
6-tert-butylsulfonyl-N-(5-methyl-1H-pyrazol-3-yl)quinolin-4-amine
CID 145979108
6-tert-butylsulfonyl-N-(1H-pyrazol-5-yl)quinolin-4-amine
CID 145988588
4-methyl-N-[6-(1-methylindol-7-yl)pyridazin-3-yl]benzenesulfonamide
CID 147928416
4-methyl-N-(6-quinolin-8-ylpyridazin-3-yl)benzenesulfonamide
CID 149094700
N-[[5-(2-methylpropyl)-1-phenylpyrazol-3-yl]methyl]quinoline-8-sulfonamide
CID 118512792
N-[{1-(4-Fluorophenyl)-5-isobutyl-1H-pyrazol-3-yl}methyl]quinoline-8-sulfonamide
CID 118512804
N-[4-[5-amino-1-(4-methylphenyl)pyrazol-3-yl]phenyl]quinoline-8-sulfonamide
CID 44312757
8-{[3-(2,5-dimethyl-1H-pyrrol-1-yl)-4-fluoro-1H-indazol-1-yl]sulfonyl}quinoline
CID 2809938
N-(6-methyl-2-pyridinyl)quinoline-8-sulfonamide
CID 4106670

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide (CID 4686459) is N-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide is Cc1cc(NS(=O)(=O)c2cccc3cccnc23)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide?
The InChIKey is XXXXRUWKCXFVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2S/c1-10-9-13(18(2)16-10)17-21(19,20)12-7-3-5-11-6-4-8-15-14(11)12/h3-9,17H,1-2H3.
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide?
N-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide has a molecular weight of 302.36 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)quinoline-8-sulfonamide is sourced from PubChem (CID 4686459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).