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

C20H22Cl2N6O2S — CID 58561246

IUPAC2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1c(Cl)cc(-c2ccnc(N3CCNCC3)c2)cc1Cl
InChIInChI=1S/C20H22Cl2N6O2S/c1-13-18(12-27(2)25-13)26-31(29,30)20-16(21)9-15(10-17(20)22)14-3-4-24-19(11-14)28-7-5-23-6-8-28/h3-4,9-12,23,26H,5-8H2,1-2H3
InChIKeyHCTLYQUKCDMZSK-UHFFFAOYSA-N
MW481.41 g/mol
LogP3.31
Rot. Bonds5

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

2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide (PubChem CID 58561246) has the molecular formula C20H22Cl2N6O2S and a molecular weight of 481.41 g/mol. Its IUPAC name is 2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide
PubChem CID58561246
Molecular FormulaC20H22Cl2N6O2S
Molecular Weight481.41 g/mol
Exact Mass480.09
IUPAC Name2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide
SMILESCc1nn(C)cc1NS(=O)(=O)c1c(Cl)cc(-c2ccnc(N3CCNCC3)c2)cc1Cl
InChIInChI=1S/C20H22Cl2N6O2S/c1-13-18(12-27(2)25-13)26-31(29,30)20-16(21)9-15(10-17(20)22)14-3-4-24-19(11-14)28-7-5-23-6-8-28/h3-4,9-12,23,26H,5-8H2,1-2H3
InChIKeyHCTLYQUKCDMZSK-UHFFFAOYSA-N
XLogP3.31
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 53.31
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-(1,3-dimethylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide (CID 58561246) is 2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide is Cc1nn(C)cc1NS(=O)(=O)c1c(Cl)cc(-c2ccnc(N3CCNCC3)c2)cc1Cl.
What is the InChIKey of 2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
The InChIKey is HCTLYQUKCDMZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N6O2S/c1-13-18(12-27(2)25-13)26-31(29,30)20-16(21)9-15(10-17(20)22)14-3-4-24-19(11-14)28-7-5-23-6-8-28/h3-4,9-12,23,26H,5-8H2,1-2H3.
What are the key properties of 2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide?
2,6-dichloro-N-(1,3-dimethylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide has a molecular weight of 481.41 g/mol, XLogP of 3.31, 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-(1,3-dimethylpyrazol-4-yl)-4-(2-piperazin-1-yl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 58561246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).