4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C21H26N6O2S — CID 58561184

IUPAC4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2ccnc(N3CCNCC3)c2)cc1
InChIInChI=1S/C21H26N6O2S/c1-15-21(16(2)26(3)24-15)25-30(28,29)19-6-4-17(5-7-19)18-8-9-23-20(14-18)27-12-10-22-11-13-27/h4-9,14,22,25H,10-13H2,1-3H3
InChIKeyQNVZUWYJYIDRAI-UHFFFAOYSA-N
MW426.55 g/mol
LogP2.31
Rot. Bonds5

About 4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 58561184) has the molecular formula C21H26N6O2S and a molecular weight of 426.55 g/mol. Its IUPAC name is 4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID58561184
Molecular FormulaC21H26N6O2S
Molecular Weight426.55 g/mol
Exact Mass426.18
IUPAC Name4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2ccnc(N3CCNCC3)c2)cc1
InChIInChI=1S/C21H26N6O2S/c1-15-21(16(2)26(3)24-15)25-30(28,29)19-6-4-17(5-7-19)18-8-9-23-20(14-18)27-12-10-22-11-13-27/h4-9,14,22,25H,10-13H2,1-3H3
InChIKeyQNVZUWYJYIDRAI-UHFFFAOYSA-N
XLogP2.31
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide with MolForge

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Related Compounds

Ddd-85646
CID 44199337
Omidenepag
CID 44230575
Zelenirstat
CID 58561243
Cep-33779
CID 57336812
Gsk8612
CID 137553174
2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 46179032
N,N-Dimethyl-4-[(6r)-6-Methyl-5-(1h-Pyrrolo[2,3-B]pyridin-4-Yl)-4,5,6,7-Tetrahydropyrazolo[1,5-A]pyrazin-3-Yl]benzenesulfonamide
CID 86306050
2-[4-(N-(3-Dimethylaminopropyl)sulphamoyl)anilino]-
CID 5288595
6-{[2-(4-Methylpiperazin-1-Yl)ethyl]amino}-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)pyridine-3-Sulfonamide
CID 46179030
2,6-Dichloro-4-(6-Piperazin-1-Ylpyridin-3-Yl)-N-(1,3,5-Trimethyl-1h-Pyrazol-4-Yl)benzenesulfonamide
CID 54669607
US9156811, Ddd86475
CID 58561246
1-(Benzenesulfonyl)-4-piperazin-1-ylpyrrolo[3,2-c]pyridine
CID 67156504

Frequently Asked Questions

What is the IUPAC name of 4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 58561184) is 4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2ccnc(N3CCNCC3)c2)cc1.
What is the InChIKey of 4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is QNVZUWYJYIDRAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2S/c1-15-21(16(2)26(3)24-15)25-30(28,29)19-6-4-17(5-7-19)18-8-9-23-20(14-18)27-12-10-22-11-13-27/h4-9,14,22,25H,10-13H2,1-3H3.
What are the key properties of 4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 426.55 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-piperazin-1-yl-4-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 58561184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).