2,6-dichloro-N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide

C19H20Cl2N6O2S — CID 58561372

IUPAC2,6-dichloro-N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2c(Cl)cc(-c3ccnc(N4CCNCC4)c3)cc2Cl)cn1
InChIInChI=1S/C19H20Cl2N6O2S/c1-26-12-15(11-24-26)25-30(28,29)19-16(20)8-14(9-17(19)21)13-2-3-23-18(10-13)27-6-4-22-5-7-27/h2-3,8-12,22,25H,4-7H2,1H3
InChIKeyZTIINHYISLWHNP-UHFFFAOYSA-N
MW467.38 g/mol
LogP3.00
Rot. Bonds5

About 2,6-dichloro-N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide

2,6-dichloro-N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide (PubChem CID 58561372) has the molecular formula C19H20Cl2N6O2S and a molecular weight of 467.38 g/mol. Its IUPAC name is 2,6-dichloro-N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide
PubChem CID58561372
Molecular FormulaC19H20Cl2N6O2S
Molecular Weight467.38 g/mol
Exact Mass466.07
IUPAC Name2,6-dichloro-N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide
SMILESCn1cc(NS(=O)(=O)c2c(Cl)cc(-c3ccnc(N4CCNCC4)c3)cc2Cl)cn1
InChIInChI=1S/C19H20Cl2N6O2S/c1-26-12-15(11-24-26)25-30(28,29)19-16(20)8-14(9-17(19)21)13-2-3-23-18(10-13)27-6-4-22-5-7-27/h2-3,8-12,22,25H,4-7H2,1H3
InChIKeyZTIINHYISLWHNP-UHFFFAOYSA-N
XLogP3.00
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide (CID 58561372) is 2,6-dichloro-N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide is Cn1cc(NS(=O)(=O)c2c(Cl)cc(-c3ccnc(N4CCNCC4)c3)cc2Cl)cn1.
What is the InChIKey of 2,6-dichloro-N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
The InChIKey is ZTIINHYISLWHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6O2S/c1-26-12-15(11-24-26)25-30(28,29)19-16(20)8-14(9-17(19)21)13-2-3-23-18(10-13)27-6-4-22-5-7-27/h2-3,8-12,22,25H,4-7H2,1H3.
What are the key properties of 2,6-dichloro-N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
2,6-dichloro-N-(1-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide has a molecular weight of 467.38 g/mol, XLogP of 3.00, 5 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-methylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 58561372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).