5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole

C20H15F3N4O2S — CID 70684232

IUPAC5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
SMILESNS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H15F3N4O2S/c21-20(22,23)19-12-18(15-6-5-13-3-1-2-4-14(13)11-15)27(25-19)17-9-7-16(8-10-17)26-30(24,28)29/h1-12,26H,(H2,24,28,29)
InChIKeySHFRIBCICOIRJY-UHFFFAOYSA-N
MW432.43 g/mol
LogP4.33
Rot. Bonds4

About 5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole

5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole (PubChem CID 70684232) has the molecular formula C20H15F3N4O2S and a molecular weight of 432.43 g/mol. Its IUPAC name is 5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
PubChem CID70684232
Molecular FormulaC20H15F3N4O2S
Molecular Weight432.43 g/mol
Exact Mass432.09
IUPAC Name5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole
SMILESNS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)cc1
InChIInChI=1S/C20H15F3N4O2S/c21-20(22,23)19-12-18(15-6-5-13-3-1-2-4-14(13)11-15)27(25-19)17-9-7-16(8-10-17)26-30(24,28)29/h1-12,26H,(H2,24,28,29)
InChIKeySHFRIBCICOIRJY-UHFFFAOYSA-N
XLogP4.33
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole?
The IUPAC name of 5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole (CID 70684232) is 5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole.
What is the SMILES notation for 5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole?
The canonical SMILES for 5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole is NS(=O)(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2-c2ccc3ccccc3c2)cc1.
What is the InChIKey of 5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole?
The InChIKey is SHFRIBCICOIRJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O2S/c21-20(22,23)19-12-18(15-6-5-13-3-1-2-4-14(13)11-15)27(25-19)17-9-7-16(8-10-17)26-30(24,28)29/h1-12,26H,(H2,24,28,29).
What are the key properties of 5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole?
5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole has a molecular weight of 432.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-naphthalen-2-yl-1-[4-(sulfamoylamino)phenyl]-3-(trifluoromethyl)pyrazole is sourced from PubChem (CID 70684232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).