N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide

C17H20N4O2S — CID 831765

IUPACN-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide
SMILESCc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H20N4O2S/c1-12-15(13(2)21(4)19-12)11-20(3)24(22,23)16-9-5-7-14-8-6-10-18-17(14)16/h5-10H,11H2,1-4H3
InChIKeyXJWNAXKXPBOLFU-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.41
Rot. Bonds4

About N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide

N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide (PubChem CID 831765) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide
PubChem CID831765
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide
SMILESCc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc2cccnc12
InChIInChI=1S/C17H20N4O2S/c1-12-15(13(2)21(4)19-12)11-20(3)24(22,23)16-9-5-7-14-8-6-10-18-17(14)16/h5-10H,11H2,1-4H3
InChIKeyXJWNAXKXPBOLFU-UHFFFAOYSA-N
XLogP2.41
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methylquinoline-8-sulfonamide
CID 22771443
2-chloro-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 151990254
N-[(1,5-dimethyl-3-propan-2-ylpyrazol-4-yl)methyl]-N-methylnaphthalene-1-sulfonamide
CID 153326537
N,3,4-trimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22771503
N-(3-amino-2,2-dimethylpropyl)-N-methylquinoline-8-sulfonamide;hydrochloride
CID 119991402
5-chloro-2,4-dimethoxy-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 46972066
N-benzyl-N-ethylquinoline-8-sulfonamide
CID 5053863
1-(4-fluorophenyl)-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]methanesulfonamide
CID 46972220
4-[(2R)-butan-2-yl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzenesulfonamide
CID 26011051
N,N-di(butan-2-yl)quinoline-8-sulfonamide
CID 4185398
N,N-bis(4-methylphenyl)quinoline-8-sulfonamide
CID 3737417
3-methyl-N-pentyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridine-2-sulfonamide
CID 167825923

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide?
The IUPAC name of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide (CID 831765) is N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide.
What is the SMILES notation for N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide?
The canonical SMILES for N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide is Cc1nn(C)c(C)c1CN(C)S(=O)(=O)c1cccc2cccnc12.
What is the InChIKey of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide?
The InChIKey is XJWNAXKXPBOLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-15(13(2)21(4)19-12)11-20(3)24(22,23)16-9-5-7-14-8-6-10-18-17(14)16/h5-10H,11H2,1-4H3.
What are the key properties of N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide?
N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.41, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-8-sulfonamide is sourced from PubChem (CID 831765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).