4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide

C11H17NO4S — CID 6460242

IUPAC4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCO)cc1
InChIInChI=1S/C11H17NO4S/c1-2-16-10-4-6-11(7-5-10)17(14,15)12-8-3-9-13/h4-7,12-13H,2-3,8-9H2,1H3
InChIKeyVRAHGYSAZKLMET-UHFFFAOYSA-N
MW259.33 g/mol
LogP0.75
Rot. Bonds7

About 4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide

4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 6460242) has the molecular formula C11H17NO4S and a molecular weight of 259.33 g/mol. Its IUPAC name is 4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID6460242
Molecular FormulaC11H17NO4S
Molecular Weight259.33 g/mol
Exact Mass259.09
IUPAC Name4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)NCCCO)cc1
InChIInChI=1S/C11H17NO4S/c1-2-16-10-4-6-11(7-5-10)17(14,15)12-8-3-9-13/h4-7,12-13H,2-3,8-9H2,1H3
InChIKeyVRAHGYSAZKLMET-UHFFFAOYSA-N
XLogP0.75
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-4-ethoxybenzenesulfonamide
CID 4790143
methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate
CID 126134738
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
6-[(4-ethoxyphenyl)sulfonylamino]hexanoic acid
CID 43237660
2-[(4-ethoxyphenyl)sulfonylamino]acetate
CID 4244055
4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
CID 43501515
N-[2-(dimethylamino)ethyl]-4-ethoxybenzenesulfonamide
CID 7528966
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
4-ethoxy-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide
CID 8843143
N-[2-(4-ethoxyphenoxy)ethyl]-4-methoxybenzenesulfonamide
CID 40753909
N-[2-(4-ethoxyphenoxy)ethyl]-4-fluorobenzenesulfonamide
CID 40753911
3-[(4-ethoxyphenyl)sulfonylamino]-N-propylpropanamide
CID 18104811

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide (CID 6460242) is 4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide is CCOc1ccc(S(=O)(=O)NCCCO)cc1.
What is the InChIKey of 4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is VRAHGYSAZKLMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO4S/c1-2-16-10-4-6-11(7-5-10)17(14,15)12-8-3-9-13/h4-7,12-13H,2-3,8-9H2,1H3.
What are the key properties of 4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide?
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 259.33 g/mol, XLogP of 0.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 6460242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).