5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide

C23H23N5O2S — CID 24815055

IUPAC5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N[C@H]2CCN(c3cccc4ncccc34)C2)cnn1-c1ccccc1
InChIInChI=1S/C23H23N5O2S/c1-17-23(15-25-28(17)19-7-3-2-4-8-19)31(29,30)26-18-12-14-27(16-18)22-11-5-10-21-20(22)9-6-13-24-21/h2-11,13,15,18,26H,12,14,16H2,1H3/t18-/m0/s1
InChIKeyMMBZNINRSZJPPU-SFHVURJKSA-N
MW433.54 g/mol
LogP3.29
Rot. Bonds5

About 5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide

5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide (PubChem CID 24815055) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide
PubChem CID24815055
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N[C@H]2CCN(c3cccc4ncccc34)C2)cnn1-c1ccccc1
InChIInChI=1S/C23H23N5O2S/c1-17-23(15-25-28(17)19-7-3-2-4-8-19)31(29,30)26-18-12-14-27(16-18)22-11-5-10-21-20(22)9-6-13-24-21/h2-11,13,15,18,26H,12,14,16H2,1H3/t18-/m0/s1
InChIKeyMMBZNINRSZJPPU-SFHVURJKSA-N
XLogP3.29
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide (CID 24815055) is 5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N[C@H]2CCN(c3cccc4ncccc34)C2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide?
The InChIKey is MMBZNINRSZJPPU-SFHVURJKSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-17-23(15-25-28(17)19-7-3-2-4-8-19)31(29,30)26-18-12-14-27(16-18)22-11-5-10-21-20(22)9-6-13-24-21/h2-11,13,15,18,26H,12,14,16H2,1H3/t18-/m0/s1.
What are the key properties of 5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide?
5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide has a molecular weight of 433.54 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N-[(3S)-1-quinolin-5-ylpyrrolidin-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 24815055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).