2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

C21H24Cl2N6O2S — CID 54669607

IUPAC2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(-c2ccc(N3CCNCC3)nc2)cc1Cl
InChIInChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-19(25-12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3
InChIKeyHOIAFTVGAXSASA-UHFFFAOYSA-N
MW495.44 g/mol
LogP3.62
Rot. Bonds5

About 2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide

2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (PubChem CID 54669607) has the molecular formula C21H24Cl2N6O2S and a molecular weight of 495.44 g/mol. Its IUPAC name is 2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
PubChem CID54669607
Molecular FormulaC21H24Cl2N6O2S
Molecular Weight495.44 g/mol
Exact Mass494.11
IUPAC Name2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide
SMILESCc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(-c2ccc(N3CCNCC3)nc2)cc1Cl
InChIInChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-19(25-12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3
InChIKeyHOIAFTVGAXSASA-UHFFFAOYSA-N
XLogP3.62
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.44
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide (CID 54669607) is 2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is Cc1nn(C)c(C)c1NS(=O)(=O)c1c(Cl)cc(-c2ccc(N3CCNCC3)nc2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is HOIAFTVGAXSASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-19(25-12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3.
What are the key properties of 2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide?
2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 495.44 g/mol, XLogP of 3.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(6-piperazin-1-yl-3-pyridinyl)-N-(1,3,5-trimethylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 54669607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).