1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide

C21H26FN5O3S — CID 24646697

IUPAC1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CCCN3S(=O)(=O)c3ccccc3F)cn2)CC1
InChIInChI=1S/C21H26FN5O3S/c1-25-11-13-26(14-12-25)20-9-8-16(15-23-20)24-21(28)18-6-4-10-27(18)31(29,30)19-7-3-2-5-17(19)22/h2-3,5,7-9,15,18H,4,6,10-14H2,1H3,(H,24,28)
InChIKeyKRLNDKMQJXYJQA-UHFFFAOYSA-N
MW447.54 g/mol
LogP1.76
Rot. Bonds5

About 1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide

1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 24646697) has the molecular formula C21H26FN5O3S and a molecular weight of 447.54 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID24646697
Molecular FormulaC21H26FN5O3S
Molecular Weight447.54 g/mol
Exact Mass447.17
IUPAC Name1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
SMILESCN1CCN(c2ccc(NC(=O)C3CCCN3S(=O)(=O)c3ccccc3F)cn2)CC1
InChIInChI=1S/C21H26FN5O3S/c1-25-11-13-26(14-12-25)20-9-8-16(15-23-20)24-21(28)18-6-4-10-27(18)31(29,30)19-7-3-2-5-17(19)22/h2-3,5,7-9,15,18H,4,6,10-14H2,1H3,(H,24,28)
InChIKeyKRLNDKMQJXYJQA-UHFFFAOYSA-N
XLogP1.76
TPSA85.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(2-fluorophenyl)sulfonyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 2119678
1-(2,2-dimethylpropanoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 55634906
1-(2-fluorophenyl)sulfonyl-N-(2-hydroxyphenyl)pyrrolidine-2-carboxamide
CID 24644538
(2S)-N-(2,4-difluorophenyl)-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 11936672
[1-(2-fluorophenyl)sulfonylpyrrolidin-2-yl]-(4-methylsulfonylpiperidin-1-yl)methanone
CID 90586366
1-(2-fluorophenyl)sulfonyl-N-prop-2-ynylpyrrolidine-2-carboxamide
CID 24641779
(2R)-1-(2-fluorophenyl)sulfonyl-N-(1-propylbenzimidazol-2-yl)pyrrolidine-2-carboxamide
CID 41015418
1-(4-chlorobenzoyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]piperidine-3-carboxamide
CID 16613341
1-(2-fluorophenyl)sulfonyl-N-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 24644596
N-[2-(4-fluorophenyl)ethyl]-1-(2-fluorophenyl)sulfonylpyrrolidine-2-carboxamide
CID 24639477
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 167869501
1-(2-fluorophenyl)sulfonyl-N-[1-(2-methylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 24654663

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide (CID 24646697) is 1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide is CN1CCN(c2ccc(NC(=O)C3CCCN3S(=O)(=O)c3ccccc3F)cn2)CC1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is KRLNDKMQJXYJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN5O3S/c1-25-11-13-26(14-12-25)20-9-8-16(15-23-20)24-21(28)18-6-4-10-27(18)31(29,30)19-7-3-2-5-17(19)22/h2-3,5,7-9,15,18H,4,6,10-14H2,1H3,(H,24,28).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide?
1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 447.54 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 24646697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).