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

C10H15F3N2O4S — CID 174939784

IUPACethyl formate;N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc[nH]c1)C(F)(F)F.CCOC=O
InChIInChI=1S/C7H9F3N2O2S.C3H6O2/c1-5(7(8,9)10)12-15(13,14)6-2-3-11-4-6;1-2-5-3-4/h2-5,11-12H,1H3;3H,2H2,1H3
InChIKeyUOTGGLMKJMOYOZ-UHFFFAOYSA-N
MW316.30 g/mol
LogP1.42
Rot. Bonds5

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

ethyl formate;N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide (PubChem CID 174939784) has the molecular formula C10H15F3N2O4S and a molecular weight of 316.30 g/mol. Its IUPAC name is ethyl formate;N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Nameethyl formate;N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide
PubChem CID174939784
Molecular FormulaC10H15F3N2O4S
Molecular Weight316.30 g/mol
Exact Mass316.07
IUPAC Nameethyl formate;N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide
SMILESCC(NS(=O)(=O)c1cc[nH]c1)C(F)(F)F.CCOC=O
InChIInChI=1S/C7H9F3N2O2S.C3H6O2/c1-5(7(8,9)10)12-15(13,14)6-2-3-11-4-6;1-2-5-3-4/h2-5,11-12H,1H3;3H,2H2,1H3
InChIKeyUOTGGLMKJMOYOZ-UHFFFAOYSA-N
XLogP1.42
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl formate;N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide?
The IUPAC name of ethyl formate;N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide (CID 174939784) is ethyl formate;N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for ethyl formate;N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide?
The canonical SMILES for ethyl formate;N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide is CC(NS(=O)(=O)c1cc[nH]c1)C(F)(F)F.CCOC=O.
What is the InChIKey of ethyl formate;N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide?
The InChIKey is UOTGGLMKJMOYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O2S.C3H6O2/c1-5(7(8,9)10)12-15(13,14)6-2-3-11-4-6;1-2-5-3-4/h2-5,11-12H,1H3;3H,2H2,1H3.
What are the key properties of ethyl formate;N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide?
ethyl formate;N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide has a molecular weight of 316.30 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;N-(1,1,1-trifluoropropan-2-yl)-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 174939784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).