5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole

C17H15F3N4O2S — CID 57334324

IUPAC5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(NS(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H15F3N4O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-24(15)14-8-6-13(7-9-14)23-27(21,25)26/h2-10,23H,1H3,(H2,21,25,26)
InChIKeySHGXCCXQSBQHLD-UHFFFAOYSA-N
MW396.39 g/mol
LogP3.48
Rot. Bonds4

About 5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole

5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole (PubChem CID 57334324) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is 5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
PubChem CID57334324
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC Name5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
SMILESCc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(NS(N)(=O)=O)cc2)cc1
InChIInChI=1S/C17H15F3N4O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-24(15)14-8-6-13(7-9-14)23-27(21,25)26/h2-10,23H,1H3,(H2,21,25,26)
InChIKeySHGXCCXQSBQHLD-UHFFFAOYSA-N
XLogP3.48
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole (CID 57334324) is 5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole is Cc1ccc(-c2cc(C(F)(F)F)nn2-c2ccc(NS(N)(=O)=O)cc2)cc1.
What is the InChIKey of 5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is SHGXCCXQSBQHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c1-11-2-4-12(5-3-11)15-10-16(17(18,19)20)22-24(15)14-8-6-13(7-9-14)23-27(21,25)26/h2-10,23H,1H3,(H2,21,25,26).
What are the key properties of 5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole?
5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 396.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylphenyl)-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 57334324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).