5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide

C13H24N2O3S — CID 106022501

IUPAC5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1c[nH]c(CO)c1
InChIInChI=1S/C13H24N2O3S/c1-3-5-7-11(6-4-2)15-19(17,18)13-8-12(10-16)14-9-13/h8-9,11,14-16H,3-7,10H2,1-2H3
InChIKeyIEGQARRXURYVDO-UHFFFAOYSA-N
MW288.41 g/mol
LogP2.14
Rot. Bonds9

About 5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide

5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide (PubChem CID 106022501) has the molecular formula C13H24N2O3S and a molecular weight of 288.41 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide
PubChem CID106022501
Molecular FormulaC13H24N2O3S
Molecular Weight288.41 g/mol
Exact Mass288.15
IUPAC Name5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide
SMILESCCCCC(CCC)NS(=O)(=O)c1c[nH]c(CO)c1
InChIInChI=1S/C13H24N2O3S/c1-3-5-7-11(6-4-2)15-19(17,18)13-8-12(10-16)14-9-13/h8-9,11,14-16H,3-7,10H2,1-2H3
InChIKeyIEGQARRXURYVDO-UHFFFAOYSA-N
XLogP2.14
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.41
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-(hydroxymethyl)-N-octan-4-yl-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-(2-ethylhexyl)-5-(hydroxymethyl)-1H-pyrrole-3-sulfonamide
CID 107818636
5-(hydroxymethyl)-1-methyl-N-octan-4-ylpyrrole-3-sulfonamide
CID 106022477
4-fluoro-3-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022413
5-(aminomethyl)-N-pentan-2-yl-1H-pyrrole-3-sulfonamide
CID 106046504
N-nonan-4-ylbenzenesulfonamide
CID 174769116
2-amino-N-octan-4-ylpyrimidine-5-sulfonamide
CID 106027708
6-amino-N-octan-4-ylpyridine-3-sulfonamide
CID 106022026
2-bromo-5-(hydroxymethyl)-N-octan-4-ylbenzenesulfonamide
CID 106022484
2-chloro-N-octan-4-ylpyridine-4-sulfonamide
CID 114138590
N-(1-aminohexan-2-yl)-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonamide;hydrochloride
CID 119993343
4-(pentan-2-ylsulfamoyl)-1H-pyrrole-2-carboxylic acid
CID 16780827
4-amino-2,6-dibromo-N-octan-4-ylbenzenesulfonamide
CID 106022120

Frequently Asked Questions

What is the IUPAC name of 5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide (CID 106022501) is 5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide is CCCCC(CCC)NS(=O)(=O)c1c[nH]c(CO)c1.
What is the InChIKey of 5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide?
The InChIKey is IEGQARRXURYVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3S/c1-3-5-7-11(6-4-2)15-19(17,18)13-8-12(10-16)14-9-13/h8-9,11,14-16H,3-7,10H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide?
5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide has a molecular weight of 288.41 g/mol, XLogP of 2.14, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-octan-4-yl-1H-pyrrole-3-sulfonamide is sourced from PubChem (CID 106022501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).