2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide

C24H30Cl2N6O2S — CID 67186929

IUPAC2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide
SMILESCc1nn(C)c(CC(C)C)c1NS(=O)(=O)c1c(Cl)cc(-c2ccnc(N3CCNCC3)c2)cc1Cl
InChIInChI=1S/C24H30Cl2N6O2S/c1-15(2)11-21-23(16(3)29-31(21)4)30-35(33,34)24-19(25)12-18(13-20(24)26)17-5-6-28-22(14-17)32-9-7-27-8-10-32/h5-6,12-15,27,30H,7-11H2,1-4H3
InChIKeyFHFKEHHLTWJRPV-UHFFFAOYSA-N
MW537.52 g/mol
LogP4.51
Rot. Bonds7

About 2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide

2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide (PubChem CID 67186929) has the molecular formula C24H30Cl2N6O2S and a molecular weight of 537.52 g/mol. Its IUPAC name is 2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide
PubChem CID67186929
Molecular FormulaC24H30Cl2N6O2S
Molecular Weight537.52 g/mol
Exact Mass536.15
IUPAC Name2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide
SMILESCc1nn(C)c(CC(C)C)c1NS(=O)(=O)c1c(Cl)cc(-c2ccnc(N3CCNCC3)c2)cc1Cl
InChIInChI=1S/C24H30Cl2N6O2S/c1-15(2)11-21-23(16(3)29-31(21)4)30-35(33,34)24-19(25)12-18(13-20(24)26)17-5-6-28-22(14-17)32-9-7-27-8-10-32/h5-6,12-15,27,30H,7-11H2,1-4H3
InChIKeyFHFKEHHLTWJRPV-UHFFFAOYSA-N
XLogP4.51
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.52
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Zelenirstat
CID 58561243
Ddd-85646
CID 44199337
2,6-bis(chloranyl)-4-[2-(4-methylpiperazin-1-yl)pyridin-4-yl]-~{N}-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
CID 46179032
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
US9156811, Ddd88193
CID 58561114
US9156811, Ddd99834
CID 58561222
US9156811, Ddd87763
CID 58561340
US9156811, Ddd87993
CID 58561346
US9156811, Ddd86478
CID 58561372
2,6-Dichloro-N-(difluoromethyl)-4-(2-(piperazin-1-yl)pyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide
CID 58561374
US9156811, Ddd86206
CID 46179031

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide (CID 67186929) is 2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide is Cc1nn(C)c(CC(C)C)c1NS(=O)(=O)c1c(Cl)cc(-c2ccnc(N3CCNCC3)c2)cc1Cl.
What is the InChIKey of 2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
The InChIKey is FHFKEHHLTWJRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N6O2S/c1-15(2)11-21-23(16(3)29-31(21)4)30-35(33,34)24-19(25)12-18(13-20(24)26)17-5-6-28-22(14-17)32-9-7-27-8-10-32/h5-6,12-15,27,30H,7-11H2,1-4H3.
What are the key properties of 2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide has a molecular weight of 537.52 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[1,3-dimethyl-5-(2-methylpropyl)pyrazol-4-yl]-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 67186929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).