1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide

C8H11F3N2O3S — CID 114094039

IUPAC1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NCC(O)C(F)(F)F)c1
InChIInChI=1S/C8H11F3N2O3S/c1-13-3-2-6(5-13)17(15,16)12-4-7(14)8(9,10)11/h2-3,5,7,12,14H,4H2,1H3
InChIKeyQBXRBIVLTZTMOH-UHFFFAOYSA-N
MW272.25 g/mol
LogP0.23
Rot. Bonds4

About 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide

1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide (PubChem CID 114094039) has the molecular formula C8H11F3N2O3S and a molecular weight of 272.25 g/mol. Its IUPAC name is 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide
PubChem CID114094039
Molecular FormulaC8H11F3N2O3S
Molecular Weight272.25 g/mol
Exact Mass272.04
IUPAC Name1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide
SMILESCn1ccc(S(=O)(=O)NCC(O)C(F)(F)F)c1
InChIInChI=1S/C8H11F3N2O3S/c1-13-3-2-6(5-13)17(15,16)12-4-7(14)8(9,10)11/h2-3,5,7,12,14H,4H2,1H3
InChIKeyQBXRBIVLTZTMOH-UHFFFAOYSA-N
XLogP0.23
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide?
The IUPAC name of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide (CID 114094039) is 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide?
The canonical SMILES for 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide is Cn1ccc(S(=O)(=O)NCC(O)C(F)(F)F)c1.
What is the InChIKey of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide?
The InChIKey is QBXRBIVLTZTMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3S/c1-13-3-2-6(5-13)17(15,16)12-4-7(14)8(9,10)11/h2-3,5,7,12,14H,4H2,1H3.
What are the key properties of 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide?
1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide has a molecular weight of 272.25 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(3,3,3-trifluoro-2-hydroxypropyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 114094039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).