5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide

C14H26N2O4S — CID 106002042

IUPAC5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCCCCOC)cc1CO
InChIInChI=1S/C14H26N2O4S/c1-3-8-16-11-14(10-13(16)12-17)21(18,19)15-7-5-4-6-9-20-2/h10-11,15,17H,3-9,12H2,1-2H3
InChIKeyHQOAZYZUYWQBPK-UHFFFAOYSA-N
MW318.44 g/mol
LogP1.49
Rot. Bonds11

About 5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide

5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide (PubChem CID 106002042) has the molecular formula C14H26N2O4S and a molecular weight of 318.44 g/mol. Its IUPAC name is 5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide.

Molecular Properties

Compound Name5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide
PubChem CID106002042
Molecular FormulaC14H26N2O4S
Molecular Weight318.44 g/mol
Exact Mass318.16
IUPAC Name5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide
SMILESCCCn1cc(S(=O)(=O)NCCCCCOC)cc1CO
InChIInChI=1S/C14H26N2O4S/c1-3-8-16-11-14(10-13(16)12-17)21(18,19)15-7-5-4-6-9-20-2/h10-11,15,17H,3-9,12H2,1-2H3
InChIKeyHQOAZYZUYWQBPK-UHFFFAOYSA-N
XLogP1.49
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.44
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-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

1-ethyl-5-(hydroxymethyl)-N-(5,5,5-trifluoropentyl)pyrrole-3-sulfonamide
CID 115522721
N-(4-methoxybutyl)-1-methyl-5-[(propan-2-ylamino)methyl]pyrrole-3-sulfonamide
CID 106054022
5-(hydroxymethyl)-1-propyl-N-(2,2,3,3-tetrafluoropropyl)pyrrole-3-sulfonamide
CID 106295811
5-(methylaminomethyl)-N-(2-propan-2-yloxyethyl)-1-propylpyrrole-3-sulfonamide
CID 106077560
5-(hydroxymethyl)-1-methyl-N-(5-methylhexyl)pyrrole-3-sulfonamide
CID 115327459
N-(2-methylsulfanylethyl)-1-propyl-5-(propylaminomethyl)pyrrole-3-sulfonamide
CID 106063787
N-(4-methoxybutan-2-yl)-5-(methylaminomethyl)-1-propylpyrrole-3-sulfonamide
CID 106067568
5-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]-1-methylpyrrole-3-sulfonamide
CID 106001590
4-[3-(ethylamino)propylsulfamoyl]-1-propylpyrrole-2-carboxylic acid
CID 61403782
5-(aminomethyl)-1-ethyl-N-(3-propoxypropyl)pyrrole-3-sulfonamide
CID 106074138
2,3-difluoro-5-(hydroxymethyl)-N-(5-methoxypentyl)benzenesulfonamide
CID 106002047
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)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide?
The IUPAC name of 5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide (CID 106002042) is 5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide.
What is the SMILES notation for 5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide?
The canonical SMILES for 5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide is CCCn1cc(S(=O)(=O)NCCCCCOC)cc1CO.
What is the InChIKey of 5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide?
The InChIKey is HQOAZYZUYWQBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4S/c1-3-8-16-11-14(10-13(16)12-17)21(18,19)15-7-5-4-6-9-20-2/h10-11,15,17H,3-9,12H2,1-2H3.
What are the key properties of 5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide?
5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide has a molecular weight of 318.44 g/mol, XLogP of 1.49, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxymethyl)-N-(5-methoxypentyl)-1-propylpyrrole-3-sulfonamide is sourced from PubChem (CID 106002042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).