1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride

C10H12ClF3N2O3S — CID 114611390

IUPAC1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)cc1C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H12ClF3N2O3S/c1-2-16-6-7(20(11,18)19)5-8(16)9(17)15-4-3-10(12,13)14/h5-6H,2-4H2,1H3,(H,15,17)
InChIKeyIRULOFCRSSAOSH-UHFFFAOYSA-N
MW332.73 g/mol
LogP2.12
Rot. Bonds5

About 1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride

1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride (PubChem CID 114611390) has the molecular formula C10H12ClF3N2O3S and a molecular weight of 332.73 g/mol. Its IUPAC name is 1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride.

Molecular Properties

Compound Name1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride
PubChem CID114611390
Molecular FormulaC10H12ClF3N2O3S
Molecular Weight332.73 g/mol
Exact Mass332.02
IUPAC Name1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride
SMILESCCn1cc(S(=O)(=O)Cl)cc1C(=O)NCCC(F)(F)F
InChIInChI=1S/C10H12ClF3N2O3S/c1-2-16-6-7(20(11,18)19)5-8(16)9(17)15-4-3-10(12,13)14/h5-6H,2-4H2,1H3,(H,15,17)
InChIKeyIRULOFCRSSAOSH-UHFFFAOYSA-N
XLogP2.12
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.73
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610913
4-amino-1-ethyl-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide
CID 63228692
5-(cyclobutylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611200
5-(cyclopentylmethylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611207
1-ethyl-5-(3-ethylpentan-2-ylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114611399
5-(3-methylsulfinylpropylcarbamoyl)-1-propylpyrrole-3-sulfonyl chloride
CID 114611587
1-ethyl-4-(4,4,4-trifluorobutylsulfamoyl)pyrrole-2-carboxylic acid
CID 115515817
4-fluoro-3-(3,3,3-trifluoropropylcarbamoyl)benzenesulfonyl chloride
CID 65397043
1-methyl-5-(pentylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 65366972
5-(1-cyclopropylpropan-2-ylcarbamoyl)-1-ethylpyrrole-3-sulfonyl chloride
CID 114611416
1-ethyl-5-[ethyl(2-methoxyethyl)carbamoyl]pyrrole-3-sulfonyl chloride
CID 114611287
1-cyclopropyl-5-(propylcarbamoyl)pyrrole-3-sulfonyl chloride
CID 114610909

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride?
The IUPAC name of 1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride (CID 114611390) is 1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride.
What is the SMILES notation for 1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride?
The canonical SMILES for 1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride is CCn1cc(S(=O)(=O)Cl)cc1C(=O)NCCC(F)(F)F.
What is the InChIKey of 1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride?
The InChIKey is IRULOFCRSSAOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF3N2O3S/c1-2-16-6-7(20(11,18)19)5-8(16)9(17)15-4-3-10(12,13)14/h5-6H,2-4H2,1H3,(H,15,17).
What are the key properties of 1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride?
1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride has a molecular weight of 332.73 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-(3,3,3-trifluoropropylcarbamoyl)pyrrole-3-sulfonyl chloride is sourced from PubChem (CID 114611390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).