1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid

C20H24N4O6S — CID 158369892

IUPAC1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)n2ncc3ccc(N4CCNCC4)cc32)c1.O=CO
InChIInChI=1S/C19H22N4O4S.CH2O2/c1-26-16-5-6-18(27-2)19(12-16)28(24,25)23-17-11-15(4-3-14(17)13-21-23)22-9-7-20-8-10-22;2-1-3/h3-6,11-13,20H,7-10H2,1-2H3;1H,(H,2,3)
InChIKeyGUMBVYWXVPAGKX-UHFFFAOYSA-N
MW448.50 g/mol
LogP1.40
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid

1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid (PubChem CID 158369892) has the molecular formula C20H24N4O6S and a molecular weight of 448.50 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid
PubChem CID158369892
Molecular FormulaC20H24N4O6S
Molecular Weight448.50 g/mol
Exact Mass448.14
IUPAC Name1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid
SMILESCOc1ccc(OC)c(S(=O)(=O)n2ncc3ccc(N4CCNCC4)cc32)c1.O=CO
InChIInChI=1S/C19H22N4O4S.CH2O2/c1-26-16-5-6-18(27-2)19(12-16)28(24,25)23-17-11-15(4-3-14(17)13-21-23)22-9-7-20-8-10-22;2-1-3/h3-6,11-13,20H,7-10H2,1-2H3;1H,(H,2,3)
InChIKeyGUMBVYWXVPAGKX-UHFFFAOYSA-N
XLogP1.40
TPSA122.99 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.50
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

formic acid;2-(6-piperazin-1-ylindazol-1-yl)sulfonylphenol
CID 143738633
formic acid;3-(6-piperazin-1-ylindazol-1-yl)sulfonylquinoline
CID 158933529
formic acid;5-(6-piperazin-1-ylindazol-1-yl)sulfonyl-4H-1,4-benzoxazin-3-one
CID 157225376
1-(4-methoxyphenyl)sulfonyl-6-piperazin-1-ylindole
CID 59781304
1-(2,5-dimethoxyphenyl)sulfonyl-4-piperazin-1-ylbenzimidazole
CID 46203084
1-(2,5-dimethoxyphenyl)sulfonyl-4-(3-methoxyphenyl)piperazine
CID 3853607
5-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-hydroxybenzoic acid
CID 4741945
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
(3S,4R)-1-(2,5-dimethoxyphenyl)sulfonylpyrrolidine-3,4-diol
CID 79410107
1-(3,4-dimethoxyphenyl)sulfonyl-5-piperazin-1-ylindole;dihydrochloride
CID 69051523
1-[1-(2,5-dimethoxyphenyl)sulfonyl-4,5-dihydroimidazol-2-yl]-4-(4-fluorophenyl)piperazine
CID 53006689
tert-butyl formate;4-[2-methoxy-6-(6-piperazin-1-ylindazol-1-yl)pyrimidin-4-yl]morpholine
CID 161439128

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid?
The IUPAC name of 1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid (CID 158369892) is 1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid is COc1ccc(OC)c(S(=O)(=O)n2ncc3ccc(N4CCNCC4)cc32)c1.O=CO.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid?
The InChIKey is GUMBVYWXVPAGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4S.CH2O2/c1-26-16-5-6-18(27-2)19(12-16)28(24,25)23-17-11-15(4-3-14(17)13-21-23)22-9-7-20-8-10-22;2-1-3/h3-6,11-13,20H,7-10H2,1-2H3;1H,(H,2,3).
What are the key properties of 1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid?
1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid has a molecular weight of 448.50 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)sulfonyl-6-piperazin-1-ylindazole;formic acid is sourced from PubChem (CID 158369892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).