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

C17H16ClN3O4S — CID 2980653

IUPAC1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine
SMILESCOc1ccc(-c2cn(S(=O)(=O)c3ccc(Cl)c(OC)c3)nc2N)cc1
InChIInChI=1S/C17H16ClN3O4S/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)
InChIKeyOGMHNZBVLRSQHZ-UHFFFAOYSA-N
MW393.85 g/mol
LogP3.04
Rot. Bonds5

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

1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine (PubChem CID 2980653) has the molecular formula C17H16ClN3O4S and a molecular weight of 393.85 g/mol. Its IUPAC name is 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine
PubChem CID2980653
Molecular FormulaC17H16ClN3O4S
Molecular Weight393.85 g/mol
Exact Mass393.06
IUPAC Name1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine
SMILESCOc1ccc(-c2cn(S(=O)(=O)c3ccc(Cl)c(OC)c3)nc2N)cc1
InChIInChI=1S/C17H16ClN3O4S/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)
InChIKeyOGMHNZBVLRSQHZ-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 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine?
The IUPAC name of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine (CID 2980653) is 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine.
What is the SMILES notation for 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine?
The canonical SMILES for 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine is COc1ccc(-c2cn(S(=O)(=O)c3ccc(Cl)c(OC)c3)nc2N)cc1.
What is the InChIKey of 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine?
The InChIKey is OGMHNZBVLRSQHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O4S/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-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine?
1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-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 1-(4-chloro-3-methoxyphenyl)sulfonyl-4-(4-methoxyphenyl)pyrazol-3-amine is sourced from PubChem (CID 2980653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).