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

C11H11F3N4O2S — CID 118741308

IUPAC5-[(sulfamoylamino)methyl]-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESNS(=O)(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C11H11F3N4O2S/c12-11(13,14)8-3-1-7(2-4-8)10-5-9(17-18-10)6-16-21(15,19)20/h1-5,16H,6H2,(H,17,18)(H2,15,19,20)
InChIKeyOFNDROAGNPBCAV-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.39
Rot. Bonds4

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

5-[(sulfamoylamino)methyl]-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole (PubChem CID 118741308) has the molecular formula C11H11F3N4O2S and a molecular weight of 320.30 g/mol. Its IUPAC name is 5-[(sulfamoylamino)methyl]-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole.

Molecular Properties

Compound Name5-[(sulfamoylamino)methyl]-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
PubChem CID118741308
Molecular FormulaC11H11F3N4O2S
Molecular Weight320.30 g/mol
Exact Mass320.06
IUPAC Name5-[(sulfamoylamino)methyl]-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole
SMILESNS(=O)(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1
InChIInChI=1S/C11H11F3N4O2S/c12-11(13,14)8-3-1-7(2-4-8)10-5-9(17-18-10)6-16-21(15,19)20/h1-5,16H,6H2,(H,17,18)(H2,15,19,20)
InChIKeyOFNDROAGNPBCAV-UHFFFAOYSA-N
XLogP1.39
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-[(sulfamoylamino)methyl]-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(sulfamoylamino)methyl]-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The IUPAC name of 5-[(sulfamoylamino)methyl]-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole (CID 118741308) is 5-[(sulfamoylamino)methyl]-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole.
What is the SMILES notation for 5-[(sulfamoylamino)methyl]-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The canonical SMILES for 5-[(sulfamoylamino)methyl]-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole is NS(=O)(=O)NCc1cc(-c2ccc(C(F)(F)F)cc2)n[nH]1.
What is the InChIKey of 5-[(sulfamoylamino)methyl]-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
The InChIKey is OFNDROAGNPBCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2S/c12-11(13,14)8-3-1-7(2-4-8)10-5-9(17-18-10)6-16-21(15,19)20/h1-5,16H,6H2,(H,17,18)(H2,15,19,20).
What are the key properties of 5-[(sulfamoylamino)methyl]-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole?
5-[(sulfamoylamino)methyl]-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole has a molecular weight of 320.30 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(sulfamoylamino)methyl]-3-[4-(trifluoromethyl)phenyl]-1H-pyrazole is sourced from PubChem (CID 118741308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).