4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine

C17H16ClN3O4S — CID 1258594

IUPAC4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine
SMILESCOc1ccc(S(=O)(=O)n2cc(-c3cc(OC)ccc3Cl)c(N)n2)cc1
InChIInChI=1S/C17H16ClN3O4S/c1-24-11-3-6-13(7-4-11)26(22,23)21-10-15(17(19)20-21)14-9-12(25-2)5-8-16(14)18/h3-10H,1-2H3,(H2,19,20)
InChIKeyDOGBZUGTIFUAAZ-UHFFFAOYSA-N
MW393.85 g/mol
LogP3.04
Rot. Bonds5

About 4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine

4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine (PubChem CID 1258594) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine.

Molecular Properties

Compound Name4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine
PubChem CID1258594
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine
SMILESCOc1ccc(S(=O)(=O)n2cc(-c3cc(OC)ccc3Cl)c(N)n2)cc1
InChIInChI=1S/C17H16ClN3O4S/c1-24-11-3-6-13(7-4-11)26(22,23)21-10-15(17(19)20-21)14-9-12(25-2)5-8-16(14)18/h3-10H,1-2H3,(H2,19,20)
InChIKeyDOGBZUGTIFUAAZ-UHFFFAOYSA-N
XLogP3.04
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine?
The IUPAC name of 4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine (CID 1258594) is 4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine.
What is the SMILES notation for 4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine?
The canonical SMILES for 4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine is COc1ccc(S(=O)(=O)n2cc(-c3cc(OC)ccc3Cl)c(N)n2)cc1.
What is the InChIKey of 4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine?
The InChIKey is DOGBZUGTIFUAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/c1-24-11-3-6-13(7-4-11)26(22,23)21-10-15(17(19)20-21)14-9-12(25-2)5-8-16(14)18/h3-10H,1-2H3,(H2,19,20).
What are the key properties of 4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine?
4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine has a molecular weight of 393.85 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-5-methoxyphenyl)-1-(4-methoxyphenyl)sulfonylpyrazol-3-amine is sourced from PubChem (CID 1258594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).