5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride

C7H6ClF3N2O3S — CID 65367465

IUPAC5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
SMILESO=C(NCC(F)(F)F)c1cc(S(=O)(=O)Cl)c[nH]1
InChIInChI=1S/C7H6ClF3N2O3S/c8-17(15,16)4-1-5(12-2-4)6(14)13-3-7(9,10)11/h1-2,12H,3H2,(H,13,14)
InChIKeyFDWXXPVCHYWOCS-UHFFFAOYSA-N
MW290.65 g/mol
LogP1.23
Rot. Bonds3

About 5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride

5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride (PubChem CID 65367465) has the molecular formula C7H6ClF3N2O3S and a molecular weight of 290.65 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
PubChem CID65367465
Molecular FormulaC7H6ClF3N2O3S
Molecular Weight290.65 g/mol
Exact Mass289.97
IUPAC Name5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
SMILESO=C(NCC(F)(F)F)c1cc(S(=O)(=O)Cl)c[nH]1
InChIInChI=1S/C7H6ClF3N2O3S/c8-17(15,16)4-1-5(12-2-4)6(14)13-3-7(9,10)11/h1-2,12H,3H2,(H,13,14)
InChIKeyFDWXXPVCHYWOCS-UHFFFAOYSA-N
XLogP1.23
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.65
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
The IUPAC name of 5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride (CID 65367465) is 5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
The canonical SMILES for 5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride is O=C(NCC(F)(F)F)c1cc(S(=O)(=O)Cl)c[nH]1.
What is the InChIKey of 5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
The InChIKey is FDWXXPVCHYWOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF3N2O3S/c8-17(15,16)4-1-5(12-2-4)6(14)13-3-7(9,10)11/h1-2,12H,3H2,(H,13,14).
What are the key properties of 5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride?
5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride has a molecular weight of 290.65 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 65367465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).