5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide

C17H19ClN4O3S — CID 167874233

IUPAC5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C17H19ClN4O3S/c1-12-16(17(18)22(2)21-12)26(23,24)20-10-5-11-25-14-8-3-6-13-7-4-9-19-15(13)14/h3-4,6-9,20H,5,10-11H2,1-2H3
InChIKeyUZNMNDXMGJDZEI-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.68
Rot. Bonds7

About 5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide

5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide (PubChem CID 167874233) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is 5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide
PubChem CID167874233
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC Name5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)NCCCOc1cccc2cccnc12
InChIInChI=1S/C17H19ClN4O3S/c1-12-16(17(18)22(2)21-12)26(23,24)20-10-5-11-25-14-8-3-6-13-7-4-9-19-15(13)14/h3-4,6-9,20H,5,10-11H2,1-2H3
InChIKeyUZNMNDXMGJDZEI-UHFFFAOYSA-N
XLogP2.68
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-1,3-dimethyl-N-(3-pyrimidin-2-yloxypropyl)pyrazole-4-sulfonamide
CID 126827647
3,4-dimethyl-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 113102271
4-chloro-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 30206083
3-methylsulfonyl-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541916
4-(3-chloropropyl)-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541471
3-bromo-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541607
5-ethyl-N-(3-quinolin-8-yloxypropyl)thiophene-2-sulfonamide
CID 56574545
N-butyl-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 3765982
ethyl 4-(3-quinolin-8-yloxypropylsulfamoyl)benzoate
CID 56541641
N-[2-(4-tert-butylphenoxy)ethyl]-5-chloro-1,3-dimethylpyrazole-4-sulfonamide
CID 55873493
4-chloro-2-nitro-N-(3-quinolin-8-yloxypropyl)benzenesulfonamide
CID 56541780
4-propan-2-yloxy-N-(2-quinolin-8-yloxyethyl)benzenesulfonamide
CID 113102304

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide?
The IUPAC name of 5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide (CID 167874233) is 5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide?
The canonical SMILES for 5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide is Cc1nn(C)c(Cl)c1S(=O)(=O)NCCCOc1cccc2cccnc12.
What is the InChIKey of 5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide?
The InChIKey is UZNMNDXMGJDZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c1-12-16(17(18)22(2)21-12)26(23,24)20-10-5-11-25-14-8-3-6-13-7-4-9-19-15(13)14/h3-4,6-9,20H,5,10-11H2,1-2H3.
What are the key properties of 5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide?
5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide has a molecular weight of 394.88 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1,3-dimethyl-N-(3-quinolin-8-yloxypropyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 167874233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).