N-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide

C16H23NO2S — CID 11150536

IUPACN-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide
SMILESC=CCCCN(CCC=C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO2S/c1-4-6-8-14-17(13-7-5-2)20(18,19)16-11-9-15(3)10-12-16/h4-5,9-12H,1-2,6-8,13-14H2,3H3
InChIKeyZDAXGFOOUIMKEM-UHFFFAOYSA-N
MW293.43 g/mol
LogP3.53
Rot. Bonds9

About N-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide

N-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide (PubChem CID 11150536) has the molecular formula C16H23NO2S and a molecular weight of 293.43 g/mol. Its IUPAC name is N-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide
PubChem CID11150536
Molecular FormulaC16H23NO2S
Molecular Weight293.43 g/mol
Exact Mass293.14
IUPAC NameN-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide
SMILESC=CCCCN(CCC=C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H23NO2S/c1-4-6-8-14-17(13-7-5-2)20(18,19)16-11-9-15(3)10-12-16/h4-5,9-12H,1-2,6-8,13-14H2,3H3
InChIKeyZDAXGFOOUIMKEM-UHFFFAOYSA-N
XLogP3.53
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide?
The IUPAC name of N-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide (CID 11150536) is N-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide.
What is the SMILES notation for N-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide?
The canonical SMILES for N-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide is C=CCCCN(CCC=C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide?
The InChIKey is ZDAXGFOOUIMKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2S/c1-4-6-8-14-17(13-7-5-2)20(18,19)16-11-9-15(3)10-12-16/h4-5,9-12H,1-2,6-8,13-14H2,3H3.
What are the key properties of N-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide?
N-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide has a molecular weight of 293.43 g/mol, XLogP of 3.53, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-4-methyl-N-pent-4-enylbenzenesulfonamide is sourced from PubChem (CID 11150536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).