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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Related Compounds

N-[1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,5-dimethylbenzenesulfonamide
CID 74324161
1-tert-butyl-4-quinolin-5-ylpiperazine-2-carboxylic acid
CID 18414109
N-(1-quinolin-4-ylpiperidin-3-yl)cyclopropanesulfonamide
CID 155800764
N-propyl-1-quinolin-5-ylpiperidin-4-amine
CID 43315003
N-[1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 74324563
N-[(3S)-1-[1-(6-fluoro-3-pyridinyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 24816318
N-cyclopropyl-1-(2-methyl-3-pyridinyl)pyrrolidin-3-amine
CID 79043433
N-tert-butyl-1-quinolin-4-ylpyrrolidine-3-carboxamide
CID 155800306
2,4-dimethyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 90621458
1-(2-methyl-3-pyridinyl)-N-propan-2-ylpyrrolidin-3-amine
CID 79043514
N-(1-phenylpiperidin-4-yl)isoquinoline-5-sulfonamide
CID 126775893
2,3-difluoro-N-(1-pyridin-2-ylpyrrolidin-3-yl)benzenesulfonamide
CID 126768770

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).