N-butyl-4-ethenylbenzenesulfonamide

C12H17NO2S — CID 20722248

IUPACN-butyl-4-ethenylbenzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)NCCCC)cc1
InChIInChI=1S/C12H17NO2S/c1-3-5-10-13-16(14,15)12-8-6-11(4-2)7-9-12/h4,6-9,13H,2-3,5,10H2,1H3
InChIKeyDEOYTGPUSLWJAM-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.41
Rot. Bonds6

About N-butyl-4-ethenylbenzenesulfonamide

N-butyl-4-ethenylbenzenesulfonamide (PubChem CID 20722248) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is N-butyl-4-ethenylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-4-ethenylbenzenesulfonamide
PubChem CID20722248
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC NameN-butyl-4-ethenylbenzenesulfonamide
SMILESC=Cc1ccc(S(=O)(=O)NCCCC)cc1
InChIInChI=1S/C12H17NO2S/c1-3-5-10-13-16(14,15)12-8-6-11(4-2)7-9-12/h4,6-9,13H,2-3,5,10H2,1H3
InChIKeyDEOYTGPUSLWJAM-UHFFFAOYSA-N
XLogP2.41
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 67924061
4-[(4-ethenylphenyl)sulfonylamino]butanoic acid
CID 122067599
N-butyl-4-cyanobenzenesulfonamide
CID 3555489
4-(butylsulfamoyl)benzoyl chloride
CID 91736822
4-ethenyl-N-[3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)propyl]benzenesulfonamide;hydrochloride
CID 11452522
4-ethyl-N-hexylbenzenesulfonamide
CID 19681236
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
N-butyl-4-(cyanomethyl)benzenesulfonamide
CID 79186452
N-tridecylbenzenesulfonamide
CID 3514704
N-pentyl-4-phenylbenzenesulfonamide
CID 3666440
4-butoxy-N-pentylbenzenesulfonamide
CID 139844176
4-amino-N-octadecylbenzenesulfonamide;hydrochloride
CID 45050161

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-ethenylbenzenesulfonamide?
The IUPAC name of N-butyl-4-ethenylbenzenesulfonamide (CID 20722248) is N-butyl-4-ethenylbenzenesulfonamide.
What is the SMILES notation for N-butyl-4-ethenylbenzenesulfonamide?
The canonical SMILES for N-butyl-4-ethenylbenzenesulfonamide is C=Cc1ccc(S(=O)(=O)NCCCC)cc1.
What is the InChIKey of N-butyl-4-ethenylbenzenesulfonamide?
The InChIKey is DEOYTGPUSLWJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-3-5-10-13-16(14,15)12-8-6-11(4-2)7-9-12/h4,6-9,13H,2-3,5,10H2,1H3.
What are the key properties of N-butyl-4-ethenylbenzenesulfonamide?
N-butyl-4-ethenylbenzenesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-ethenylbenzenesulfonamide is sourced from PubChem (CID 20722248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).