N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide

C17H20N4O2S — CID 95628798

IUPACN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide
SMILESCc1cc(C)n(C[C@@H](C)NS(=O)(=O)c2cccc3cccnc23)n1
InChIInChI=1S/C17H20N4O2S/c1-12-10-14(3)21(19-12)11-13(2)20-24(22,23)16-8-4-6-15-7-5-9-18-17(15)16/h4-10,13,20H,11H2,1-3H3/t13-/m1/s1
InChIKeyRMRDAEWTUCPYJY-CYBMUJFWSA-N
MW344.44 g/mol
LogP2.42
Rot. Bonds5

About N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide

N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide (PubChem CID 95628798) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide
PubChem CID95628798
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide
SMILESCc1cc(C)n(C[C@@H](C)NS(=O)(=O)c2cccc3cccnc23)n1
InChIInChI=1S/C17H20N4O2S/c1-12-10-14(3)21(19-12)11-13(2)20-24(22,23)16-8-4-6-15-7-5-9-18-17(15)16/h4-10,13,20H,11H2,1-3H3/t13-/m1/s1
InChIKeyRMRDAEWTUCPYJY-CYBMUJFWSA-N
XLogP2.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]quinoline-8-carboxamide
CID 94028950
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
4-cyano-N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-methylbenzenesulfonamide
CID 95635480
8-[(3,5-dimethylpyrazol-1-yl)methyl]quinoline
CID 60982843
N-[(2S)-1-amino-4-methylpentan-2-yl]quinoline-8-sulfonamide
CID 97238593
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-1H-pyrrolo[2,3-b]pyridine-3-sulfonamide
CID 96549725
N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]quinoline-8-sulfonamide
CID 22201794
N-[1-(3-methoxyphenyl)ethyl]quinoline-8-sulfonamide
CID 3716853
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-[4-(hydroxymethyl)phenyl]thiophene-2-sulfonamide
CID 171915283
2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pyridine-3-sulfonamide
CID 61217770
8-methylsulfanylsulfonylquinoline
CID 913226

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide?
The IUPAC name of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide (CID 95628798) is N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide.
What is the SMILES notation for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide?
The canonical SMILES for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide is Cc1cc(C)n(C[C@@H](C)NS(=O)(=O)c2cccc3cccnc23)n1.
What is the InChIKey of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide?
The InChIKey is RMRDAEWTUCPYJY-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20N4O2S/c1-12-10-14(3)21(19-12)11-13(2)20-24(22,23)16-8-4-6-15-7-5-9-18-17(15)16/h4-10,13,20H,11H2,1-3H3/t13-/m1/s1.
What are the key properties of N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide?
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide has a molecular weight of 344.44 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]quinoline-8-sulfonamide is sourced from PubChem (CID 95628798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).