N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide

C7H9F3N2O2S — CID 174939785

IUPACN-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2S/c1-5(7(8,9)10)12-15(13,14)6-2-3-11-4-6/h2-5,11-12H,1H3
InChIKeyOFSHTFZQIFWDJH-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.24
Rot. Bonds3

About N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide

N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 174939785) has the molecular formula C7H9F3N2O2S and a molecular weight of 242.22 g/mol. Its IUPAC name is N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound NameN-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide
PubChem CID174939785
Molecular FormulaC7H9F3N2O2S
Molecular Weight242.22 g/mol
Exact Mass242.03
IUPAC NameN-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc[nH]c1)C(F)(F)F
InChIInChI=1S/C7H9F3N2O2S/c1-5(7(8,9)10)12-15(13,14)6-2-3-11-4-6/h2-5,11-12H,1H3
InChIKeyOFSHTFZQIFWDJH-UHFFFAOYSA-N
XLogP1.24
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide 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 N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide (CID 174939785) is N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide is CC(NS(=O)(=O)c1cc[nH]c1)C(F)(F)F.
What is the InChIKey of N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is OFSHTFZQIFWDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2S/c1-5(7(8,9)10)12-15(13,14)6-2-3-11-4-6/h2-5,11-12H,1H3.
What are the key properties of N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide?
N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 242.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 174939785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).