4-butyl-N-prop-2-enylbenzenesulfonamide

C13H19NO2S — CID 6470991

IUPAC4-butyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(CCCC)cc1
InChIInChI=1S/C13H19NO2S/c1-3-5-6-12-7-9-13(10-8-12)17(15,16)14-11-4-2/h4,7-10,14H,2-3,5-6,11H2,1H3
InChIKeyQEVHEYNFWNFLLU-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.49
Rot. Bonds7

About 4-butyl-N-prop-2-enylbenzenesulfonamide

4-butyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 6470991) has the molecular formula C13H19NO2S and a molecular weight of 253.37 g/mol. Its IUPAC name is 4-butyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name4-butyl-N-prop-2-enylbenzenesulfonamide
PubChem CID6470991
Molecular FormulaC13H19NO2S
Molecular Weight253.37 g/mol
Exact Mass253.11
IUPAC Name4-butyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1ccc(CCCC)cc1
InChIInChI=1S/C13H19NO2S/c1-3-5-6-12-7-9-13(10-8-12)17(15,16)14-11-4-2/h4,7-10,14H,2-3,5-6,11H2,1H3
InChIKeyQEVHEYNFWNFLLU-UHFFFAOYSA-N
XLogP2.49
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-pentoxy-N-prop-2-enylbenzenesulfonamide
CID 43845618
4-butyl-N-[3-(dimethylamino)propyl]benzenesulfonamide
CID 19681719
4-butylbenzenesulfonohydrazide
CID 17255521
4-(3-aminopropyl)-N-butylbenzenesulfonamide
CID 28807103
4-butoxy-3-methyl-N-prop-2-enylbenzenesulfonamide
CID 27243561
4-[[ethyl-[4-(prop-2-enylsulfamoyl)benzoyl]amino]methyl]-N,N-dimethylbenzamide
CID 56512454
N-(2-methylprop-2-enyl)-4-propylbenzenesulfonamide
CID 114616423
4-hexyl-N-[(4-methylphenyl)methyl]benzenesulfonamide
CID 84556939
4-butyl-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzenesulfonamide
CID 3695989
4-nitro-N-prop-2-enylbenzenesulfonamide
CID 2832204
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
4-butyl-N-(2-hydroxy-2-phenylethyl)benzenesulfonamide
CID 3691488

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 4-butyl-N-prop-2-enylbenzenesulfonamide (CID 6470991) is 4-butyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 4-butyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 4-butyl-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1ccc(CCCC)cc1.
What is the InChIKey of 4-butyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is QEVHEYNFWNFLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2S/c1-3-5-6-12-7-9-13(10-8-12)17(15,16)14-11-4-2/h4,7-10,14H,2-3,5-6,11H2,1H3.
What are the key properties of 4-butyl-N-prop-2-enylbenzenesulfonamide?
4-butyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 253.37 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 6470991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).