5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide

C10H8F4N4O2S — CID 61227639

IUPAC5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H8F4N4O2S/c11-7-2-1-5(3-6(7)10(12,13)14)18-21(19,20)8-4-16-17-9(8)15/h1-4,18H,(H3,15,16,17)
InChIKeyPFDGMNQPDYJOTN-UHFFFAOYSA-N
MW324.26 g/mol
LogP1.95
Rot. Bonds3

About 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide

5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide (PubChem CID 61227639) has the molecular formula C10H8F4N4O2S and a molecular weight of 324.26 g/mol. Its IUPAC name is 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
PubChem CID61227639
Molecular FormulaC10H8F4N4O2S
Molecular Weight324.26 g/mol
Exact Mass324.03
IUPAC Name5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C10H8F4N4O2S/c11-7-2-1-5(3-6(7)10(12,13)14)18-21(19,20)8-4-16-17-9(8)15/h1-4,18H,(H3,15,16,17)
InChIKeyPFDGMNQPDYJOTN-UHFFFAOYSA-N
XLogP1.95
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide (CID 61227639) is 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is PFDGMNQPDYJOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N4O2S/c11-7-2-1-5(3-6(7)10(12,13)14)18-21(19,20)8-4-16-17-9(8)15/h1-4,18H,(H3,15,16,17).
What are the key properties of 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide?
5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 324.26 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 61227639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).