1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine

C17H16BrN3O4S — CID 1259322

IUPAC1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine
SMILESCOc1ccc(-c2cn(S(=O)(=O)c3ccc(Br)c(OC)c3)nc2N)cc1
InChIInChI=1S/C17H16BrN3O4S/c1-24-12-5-3-11(4-6-12)14-10-21(20-17(14)19)26(22,23)13-7-8-15(18)16(9-13)25-2/h3-10H,1-2H3,(H2,19,20)
InChIKeyKLHKOPGKHJBDNV-UHFFFAOYSA-N
MW438.30 g/mol
LogP3.15
Rot. Bonds5

About 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine

1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine (PubChem CID 1259322) has the molecular formula C17H16BrN3O4S and a molecular weight of 438.30 g/mol. Its IUPAC name is 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine
PubChem CID1259322
Molecular FormulaC17H16BrN3O4S
Molecular Weight438.30 g/mol
Exact Mass437.00
IUPAC Name1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine
SMILESCOc1ccc(-c2cn(S(=O)(=O)c3ccc(Br)c(OC)c3)nc2N)cc1
InChIInChI=1S/C17H16BrN3O4S/c1-24-12-5-3-11(4-6-12)14-10-21(20-17(14)19)26(22,23)13-7-8-15(18)16(9-13)25-2/h3-10H,1-2H3,(H2,19,20)
InChIKeyKLHKOPGKHJBDNV-UHFFFAOYSA-N
XLogP3.15
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine?
The IUPAC name of 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine (CID 1259322) is 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine?
The canonical SMILES for 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine is COc1ccc(-c2cn(S(=O)(=O)c3ccc(Br)c(OC)c3)nc2N)cc1.
What is the InChIKey of 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine?
The InChIKey is KLHKOPGKHJBDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O4S/c1-24-12-5-3-11(4-6-12)14-10-21(20-17(14)19)26(22,23)13-7-8-15(18)16(9-13)25-2/h3-10H,1-2H3,(H2,19,20).
What are the key properties of 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine?
1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine has a molecular weight of 438.30 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine is sourced from PubChem (CID 1259322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).