N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide

C12H9ClN4O2S — CID 102692686

IUPACN-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c2ncccc12)c1ccn[nH]1
InChIInChI=1S/C12H9ClN4O2S/c13-9-3-4-10(8-2-1-6-14-12(8)9)17-20(18,19)11-5-7-15-16-11/h1-7,17H,(H,15,16)
InChIKeyDNACCWINCKORLV-UHFFFAOYSA-N
MW308.75 g/mol
LogP2.41
Rot. Bonds3

About N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide

N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692686) has the molecular formula C12H9ClN4O2S and a molecular weight of 308.75 g/mol. Its IUPAC name is N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide
PubChem CID102692686
Molecular FormulaC12H9ClN4O2S
Molecular Weight308.75 g/mol
Exact Mass308.01
IUPAC NameN-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(Nc1ccc(Cl)c2ncccc12)c1ccn[nH]1
InChIInChI=1S/C12H9ClN4O2S/c13-9-3-4-10(8-2-1-6-14-12(8)9)17-20(18,19)11-5-7-15-16-11/h1-7,17H,(H,15,16)
InChIKeyDNACCWINCKORLV-UHFFFAOYSA-N
XLogP2.41
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4-methylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691623
5-chloro-8-(sulfamoylamino)quinoline
CID 112573673
N-(3-bromo-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 102691291
N-(3-amino-2-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 102690598
N-(2-fluorophenyl)-1H-pyrazole-5-sulfonamide
CID 102691575
N-(3-chloropyrazin-2-yl)-1H-pyrazole-5-sulfonamide
CID 102990020
4-chloro-N-methyl-3-(1H-pyrazol-5-ylsulfonylamino)benzamide
CID 102692631
methyl 4-chloro-3-(1H-pyrazol-5-ylsulfonylamino)benzoate
CID 102691733
4-chloro-N-(8-hydroxyquinolin-5-yl)benzenesulfonamide
CID 2318680
N-(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-1H-pyrazole-5-sulfonamide
CID 102692511
N-[5-(3-aminoprop-1-ynyl)-2-chlorophenyl]-1H-pyrazole-5-sulfonamide
CID 102693806
N-(2-ethylphenyl)-1H-pyrazole-5-sulfonamide
CID 102691585

Frequently Asked Questions

What is the IUPAC name of N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide (CID 102692686) is N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide is O=S(=O)(Nc1ccc(Cl)c2ncccc12)c1ccn[nH]1.
What is the InChIKey of N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide?
The InChIKey is DNACCWINCKORLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O2S/c13-9-3-4-10(8-2-1-6-14-12(8)9)17-20(18,19)11-5-7-15-16-11/h1-7,17H,(H,15,16).
What are the key properties of N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide?
N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide has a molecular weight of 308.75 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloroquinolin-5-yl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).