1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid

C6H7F3N2O4S — CID 68755917

IUPAC1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)c1cc[nH]c1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H6N2O2S.C2HF3O2/c5-9(7,8)4-1-2-6-3-4;3-2(4,5)1(6)7/h1-3,6H,(H2,5,7,8);(H,6,7)
InChIKeyPGSOTXYDHXZFCZ-UHFFFAOYSA-N
MW260.19 g/mol
LogP0.30
Rot. Bonds1

About 1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid

1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid (PubChem CID 68755917) has the molecular formula C6H7F3N2O4S and a molecular weight of 260.19 g/mol. Its IUPAC name is 1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid
PubChem CID68755917
Molecular FormulaC6H7F3N2O4S
Molecular Weight260.19 g/mol
Exact Mass260.01
IUPAC Name1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid
SMILESNS(=O)(=O)c1cc[nH]c1.O=C(O)C(F)(F)F
InChIInChI=1S/C4H6N2O2S.C2HF3O2/c5-9(7,8)4-1-2-6-3-4;3-2(4,5)1(6)7/h1-3,6H,(H2,5,7,8);(H,6,7)
InChIKeyPGSOTXYDHXZFCZ-UHFFFAOYSA-N
XLogP0.30
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.19
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid 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 1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid (CID 68755917) is 1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid is NS(=O)(=O)c1cc[nH]c1.O=C(O)C(F)(F)F.
What is the InChIKey of 1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid?
The InChIKey is PGSOTXYDHXZFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2S.C2HF3O2/c5-9(7,8)4-1-2-6-3-4;3-2(4,5)1(6)7/h1-3,6H,(H2,5,7,8);(H,6,7).
What are the key properties of 1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid?
1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid has a molecular weight of 260.19 g/mol, XLogP of 0.30, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole-3-sulfonamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68755917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).