5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide

C8H11F3N2O3S2 — CID 106433688

IUPAC5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NCCSC(F)(F)F)c1c[nH]c(CO)c1
InChIInChI=1S/C8H11F3N2O3S2/c9-8(10,11)17-2-1-13-18(15,16)7-3-6(5-14)12-4-7/h3-4,12-14H,1-2,5H2
InChIKeyJNAPMEOAXRAUAR-UHFFFAOYSA-N
MW304.32 g/mol
LogP1.04
Rot. Bonds6

About 5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide

5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide (PubChem CID 106433688) has the molecular formula C8H11F3N2O3S2 and a molecular weight of 304.32 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide
PubChem CID106433688
Molecular FormulaC8H11F3N2O3S2
Molecular Weight304.32 g/mol
Exact Mass304.02
IUPAC Name5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide
SMILESO=S(=O)(NCCSC(F)(F)F)c1c[nH]c(CO)c1
InChIInChI=1S/C8H11F3N2O3S2/c9-8(10,11)17-2-1-13-18(15,16)7-3-6(5-14)12-4-7/h3-4,12-14H,1-2,5H2
InChIKeyJNAPMEOAXRAUAR-UHFFFAOYSA-N
XLogP1.04
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-cyclopentylpropyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide
CID 106014648
5-(hydroxymethyl)-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrrole-3-sulfonamide
CID 106218429
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]thiophene-3-sulfonamide
CID 106433635
4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 75406437
6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 114187255
4-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrazole-5-sulfonamide
CID 114188372
5-(hydroxymethyl)-N-[2-(oxolan-3-yl)ethyl]-1H-pyrrole-3-sulfonamide
CID 106002154
4-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106430233
4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106430253
5-(hydroxymethyl)-2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]furan-3-sulfonamide
CID 106433689
3-bromo-4-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106432524
3-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433696

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide (CID 106433688) is 5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide is O=S(=O)(NCCSC(F)(F)F)c1c[nH]c(CO)c1.
What is the InChIKey of 5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide?
The InChIKey is JNAPMEOAXRAUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O3S2/c9-8(10,11)17-2-1-13-18(15,16)7-3-6(5-14)12-4-7/h3-4,12-14H,1-2,5H2.
What are the key properties of 5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide?
5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide has a molecular weight of 304.32 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106433688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).