4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide

C9H12F3N3O4S — CID 65386759

IUPAC4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1c[nH]c(C(=O)NCCOCC(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O4S/c10-9(11,12)5-19-2-1-14-8(16)7-3-6(4-15-7)20(13,17)18/h3-4,15H,1-2,5H2,(H,14,16)(H2,13,17,18)
InChIKeyPOSRWYNEROKVSD-UHFFFAOYSA-N
MW315.27 g/mol
LogP-0.03
Rot. Bonds6

About 4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide

4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 65386759) has the molecular formula C9H12F3N3O4S and a molecular weight of 315.27 g/mol. Its IUPAC name is 4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID65386759
Molecular FormulaC9H12F3N3O4S
Molecular Weight315.27 g/mol
Exact Mass315.05
IUPAC Name4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide
SMILESNS(=O)(=O)c1c[nH]c(C(=O)NCCOCC(F)(F)F)c1
InChIInChI=1S/C9H12F3N3O4S/c10-9(11,12)5-19-2-1-14-8(16)7-3-6(4-15-7)20(13,17)18/h3-4,15H,1-2,5H2,(H,14,16)(H2,13,17,18)
InChIKeyPOSRWYNEROKVSD-UHFFFAOYSA-N
XLogP-0.03
TPSA114.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375918
N-pentyl-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65375173
N-(2,2-difluoroethyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 115408908
N-(3-methyl-2-propan-2-ylbutyl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 102915536
6-methyl-4-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridine-3-carboxamide
CID 103717467
5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 65386761
5-(2,2,2-trifluoroethylcarbamoyl)-1H-pyrrole-3-sulfonyl chloride
CID 65367465
2,6-dihydroxy-N-[2-(2,2,2-trifluoroethoxy)ethyl]benzamide
CID 103890229
6-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-3-carboxamide
CID 63824926
5-chloro-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-indole-2-carboxamide
CID 134002903
4-amino-N-(3,3,3-trifluoropropyl)-1H-pyrrole-2-carboxamide
CID 63228691
3-amino-4-[2-(2,2,2-trifluoroethoxy)ethylamino]benzenesulfonamide
CID 63827628

Frequently Asked Questions

What is the IUPAC name of 4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide (CID 65386759) is 4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide is NS(=O)(=O)c1c[nH]c(C(=O)NCCOCC(F)(F)F)c1.
What is the InChIKey of 4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is POSRWYNEROKVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O4S/c10-9(11,12)5-19-2-1-14-8(16)7-3-6(4-15-7)20(13,17)18/h3-4,15H,1-2,5H2,(H,14,16)(H2,13,17,18).
What are the key properties of 4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide?
4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 315.27 g/mol, XLogP of -0.03, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 65386759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).