N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide

C14H23NO5S — CID 115747265

IUPACN-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCCC(O)CCNS(=O)(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C14H23NO5S/c1-3-12(16)8-9-15-21(17,18)14-6-4-13(5-7-14)20-11-10-19-2/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyCIUXQBBOLSQCPS-UHFFFAOYSA-N
MW317.41 g/mol
LogP1.15
Rot. Bonds10

About N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide

N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide (PubChem CID 115747265) has the molecular formula C14H23NO5S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide
PubChem CID115747265
Molecular FormulaC14H23NO5S
Molecular Weight317.41 g/mol
Exact Mass317.13
IUPAC NameN-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide
SMILESCCC(O)CCNS(=O)(=O)c1ccc(OCCOC)cc1
InChIInChI=1S/C14H23NO5S/c1-3-12(16)8-9-15-21(17,18)14-6-4-13(5-7-14)20-11-10-19-2/h4-7,12,15-16H,3,8-11H2,1-2H3
InChIKeyCIUXQBBOLSQCPS-UHFFFAOYSA-N
XLogP1.15
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide 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

4-(2-methoxyethoxy)-N-[2-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 62664978
methyl 2-[[4-(2-methoxyethoxy)phenyl]sulfonylamino]butanoate
CID 71858268
N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 65113406
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427
2-ethyl-4-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 138045011
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
4-(2-methoxyethoxy)-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 134007687
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-(3-aminobutyl)-4-(3-methylbutoxy)benzenesulfonamide
CID 119972668
N-[2-[(4-propoxyphenyl)sulfonylamino]ethyl]acetamide
CID 47173310
4-(2-aminoethoxy)-N-(4-methoxybutyl)benzenesulfonamide
CID 106053962

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide?
The IUPAC name of N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide (CID 115747265) is N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide is CCC(O)CCNS(=O)(=O)c1ccc(OCCOC)cc1.
What is the InChIKey of N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide?
The InChIKey is CIUXQBBOLSQCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO5S/c1-3-12(16)8-9-15-21(17,18)14-6-4-13(5-7-14)20-11-10-19-2/h4-7,12,15-16H,3,8-11H2,1-2H3.
What are the key properties of N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide?
N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide has a molecular weight of 317.41 g/mol, XLogP of 1.15, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide is sourced from PubChem (CID 115747265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).