5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide

C11H16F4N2O3S — CID 106295811

IUPAC5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(F)(F)C(F)F)cc1CO
InChIInChI=1S/C11H16F4N2O3S/c1-2-3-17-5-9(4-8(17)6-18)21(19,20)16-7-11(14,15)10(12)13/h4-5,10,16,18H,2-3,6-7H2,1H3
InChIKeyLFLBFTQJCLXYLB-UHFFFAOYSA-N
MW332.32 g/mol
LogP1.57
Rot. Bonds8

About 5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide

5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide (PubChem CID 106295811) has the molecular formula C11H16F4N2O3S and a molecular weight of 332.32 g/mol. Its IUPAC name is 5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide
PubChem CID106295811
Molecular FormulaC11H16F4N2O3S
Molecular Weight332.32 g/mol
Exact Mass332.08
IUPAC Name5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCC(F)(F)C(F)F)cc1CO
InChIInChI=1S/C11H16F4N2O3S/c1-2-3-17-5-9(4-8(17)6-18)21(19,20)16-7-11(14,15)10(12)13/h4-5,10,16,18H,2-3,6-7H2,1H3
InChIKeyLFLBFTQJCLXYLB-UHFFFAOYSA-N
XLogP1.57
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide
CID 106002042
4-(ethylaminomethyl)-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106294662
1-ethyl-5-(hydroxymethyl)-N-(5,5,5-trifluoropentyl)pyrrole-3-sulfonamide
CID 115522721
N-(2,2-difluoroethyl)-1-propyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 115409245
4-[(2,3-dihydroxy-2-methylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 66185336
5-chloro-3-(hydroxymethyl)-2-methyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
CID 106295804
4-[(3-hydroxy-2,2-dimethylpropyl)sulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 115358273
5-(hydroxymethyl)-N-(2-methyloxan-4-yl)-1-propylpyrrole-3-sulfonamide
CID 106002604
4-(2,2,3,3-tetrafluoropropylsulfamoyl)benzenesulfonyl chloride
CID 106292510
5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)-1-propylpyrrole-3-sulfonamide
CID 79845643
3-(2,2,3,3-tetrafluoropropylsulfamoyl)benzoic acid
CID 106290548
N-[2-(5-bromothiophen-2-yl)ethyl]-1-ethyl-5-(hydroxymethyl)pyrrole-3-sulfonamide
CID 106044499

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide (CID 106295811) is 5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide is CCCn1cc(S(=O)(=O)NCC(F)(F)C(F)F)cc1CO.
What is the InChIKey of 5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide?
The InChIKey is LFLBFTQJCLXYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F4N2O3S/c1-2-3-17-5-9(4-8(17)6-18)21(19,20)16-7-11(14,15)10(12)13/h4-5,10,16,18H,2-3,6-7H2,1H3.
What are the key properties of 5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide?
5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide has a molecular weight of 332.32 g/mol, XLogP of 1.57, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide is sourced from PubChem (CID 106295811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).