2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide

C9H13F3N2O3S — CID 174886384

IUPAC2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCCc1[nH]ccc1S(=O)(=O)NC(CO)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3S/c1-2-6-7(3-4-13-6)18(16,17)14-8(5-15)9(10,11)12/h3-4,8,13-15H,2,5H2,1H3
InChIKeyMYHBGSKEEFBUQQ-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.78
Rot. Bonds5

About 2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide

2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 174886384) has the molecular formula C9H13F3N2O3S and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide
PubChem CID174886384
Molecular FormulaC9H13F3N2O3S
Molecular Weight286.28 g/mol
Exact Mass286.06
IUPAC Name2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCCc1[nH]ccc1S(=O)(=O)NC(CO)C(F)(F)F
InChIInChI=1S/C9H13F3N2O3S/c1-2-6-7(3-4-13-6)18(16,17)14-8(5-15)9(10,11)12/h3-4,8,13-15H,2,5H2,1H3
InChIKeyMYHBGSKEEFBUQQ-UHFFFAOYSA-N
XLogP0.78
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of 2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide (CID 174886384) is 2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide is CCc1[nH]ccc1S(=O)(=O)NC(CO)C(F)(F)F.
What is the InChIKey of 2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is MYHBGSKEEFBUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O3S/c1-2-6-7(3-4-13-6)18(16,17)14-8(5-15)9(10,11)12/h3-4,8,13-15H,2,5H2,1H3.
What are the key properties of 2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide?
2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 286.28 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 174886384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).