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

C11H15NO3S — CID 67924061

IUPAC4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)NCCCO)cc1
InChIInChI=1S/C11H15NO3S/c1-2-10-4-6-11(7-5-10)16(14,15)12-8-3-9-13/h2,4-7,12-13H,1,3,8-9H2
InChIKeyXFZJEDZXTYIROE-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.99
Rot. Bonds6

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

4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide (PubChem CID 67924061) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide
PubChem CID67924061
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)NCCCO)cc1
InChIInChI=1S/C11H15NO3S/c1-2-10-4-6-11(7-5-10)16(14,15)12-8-3-9-13/h2,4-7,12-13H,1,3,8-9H2
InChIKeyXFZJEDZXTYIROE-UHFFFAOYSA-N
XLogP0.99
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-4-ethenylbenzenesulfonamide
CID 20722248
4-[(4-ethenylphenyl)sulfonylamino]butanoic acid
CID 122067599
4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
CID 43501515
4-chloro-N-(3-hydroxypropyl)benzenesulfonamide
CID 5127490
4-(aminomethyl)-N-(3-hydroxypropyl)benzenesulfonamide
CID 102537257
4-ethenyl-N-hydroxybenzenesulfonamide
CID 139935859
4-ethenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]benzenesulfonamide;hydrochloride
CID 11452522
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
(E)-4-[4-(3-hydroxypropylsulfamoyl)phenyl]-4-oxobut-2-enoic acid
CID 94780188
2-N,7-N-bis(3-hydroxypropyl)-9H-fluorene-2,7-disulfonamide
CID 654673
4-(5-hydroxypentylsulfamoyl)benzamide
CID 107319438

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide?
The IUPAC name of 4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide (CID 67924061) is 4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide.
What is the SMILES notation for 4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide?
The canonical SMILES for 4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide is C=Cc1ccc(S(=O)(=O)NCCCO)cc1.
What is the InChIKey of 4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide?
The InChIKey is XFZJEDZXTYIROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-2-10-4-6-11(7-5-10)16(14,15)12-8-3-9-13/h2,4-7,12-13H,1,3,8-9H2.
What are the key properties of 4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide?
4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide is sourced from PubChem (CID 67924061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).