(2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide

C24H23N5O3S — CID 95344598

IUPAC(2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)Nc3ccn(Cc4cccc5cccnc45)n3)cc2C[C@H]1C
InChIInChI=1S/C24H23N5O3S/c1-16-13-20-14-21(8-9-22(20)29(16)17(2)30)33(31,32)27-23-10-12-28(26-23)15-19-6-3-5-18-7-4-11-25-24(18)19/h3-12,14,16H,13,15H2,1-2H3,(H,26,27)/t16-/m1/s1
InChIKeyZBGXLUGWQVIIRD-MRXNPFEDSA-N
MW461.55 g/mol
LogP3.58
Rot. Bonds5

About (2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide

(2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 95344598) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is (2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide
PubChem CID95344598
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC Name(2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1c2ccc(S(=O)(=O)Nc3ccn(Cc4cccc5cccnc45)n3)cc2C[C@H]1C
InChIInChI=1S/C24H23N5O3S/c1-16-13-20-14-21(8-9-22(20)29(16)17(2)30)33(31,32)27-23-10-12-28(26-23)15-19-6-3-5-18-7-4-11-25-24(18)19/h3-12,14,16H,13,15H2,1-2H3,(H,26,27)/t16-/m1/s1
InChIKeyZBGXLUGWQVIIRD-MRXNPFEDSA-N
XLogP3.58
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide with MolForge

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Related Compounds

4-nitro-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]benzenesulfonamide
CID 48928565
1-acetyl-2-methyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 121025102
N-[4-[[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]sulfonylamino]phenyl]acetamide
CID 28737727
(2R)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 51593356
(2S)-1-acetyl-2-methyl-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-2,3-dihydroindole-5-sulfonamide
CID 51593354
1-acetyl-N-(3,5-difluorophenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51299300
1-acetyl-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55508288
(2R)-1-acetyl-N-benzyl-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 41098800
(2S)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637750
(2R)-1-acetyl-N-(3,4-dimethylphenyl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 40637751
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
1-acetyl-2-methyl-N-(2-phenylethyl)-2,3-dihydroindole-5-sulfonamide
CID 15991770

Frequently Asked Questions

What is the IUPAC name of (2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide (CID 95344598) is (2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide is CC(=O)N1c2ccc(S(=O)(=O)Nc3ccn(Cc4cccc5cccnc45)n3)cc2C[C@H]1C.
What is the InChIKey of (2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is ZBGXLUGWQVIIRD-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-16-13-20-14-21(8-9-22(20)29(16)17(2)30)33(31,32)27-23-10-12-28(26-23)15-19-6-3-5-18-7-4-11-25-24(18)19/h3-12,14,16H,13,15H2,1-2H3,(H,26,27)/t16-/m1/s1.
What are the key properties of (2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide?
(2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 461.55 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-acetyl-2-methyl-N-[1-(quinolin-8-ylmethyl)pyrazol-3-yl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 95344598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).