N,N-bis(but-3-enyl)-4-methylbenzenesulfonamide

C15H21NO2S — CID 11437431

IUPACN,N-bis(but-3-enyl)-4-methylbenzenesulfonamide
SMILESC=CCCN(CCC=C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO2S/c1-4-6-12-16(13-7-5-2)19(17,18)15-10-8-14(3)9-11-15/h4-5,8-11H,1-2,6-7,12-13H2,3H3
InChIKeyPYKYBMYSBJLKEU-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.14
Rot. Bonds8

About N,N-bis(but-3-enyl)-4-methylbenzenesulfonamide

N,N-bis(but-3-enyl)-4-methylbenzenesulfonamide (PubChem CID 11437431) has the molecular formula C15H21NO2S and a molecular weight of 279.41 g/mol. Its IUPAC name is N,N-bis(but-3-enyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-bis(but-3-enyl)-4-methylbenzenesulfonamide
PubChem CID11437431
Molecular FormulaC15H21NO2S
Molecular Weight279.41 g/mol
Exact Mass279.13
IUPAC NameN,N-bis(but-3-enyl)-4-methylbenzenesulfonamide
SMILESC=CCCN(CCC=C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C15H21NO2S/c1-4-6-12-16(13-7-5-2)19(17,18)15-10-8-14(3)9-11-15/h4-5,8-11H,1-2,6-7,12-13H2,3H3
InChIKeyPYKYBMYSBJLKEU-UHFFFAOYSA-N
XLogP3.14
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(but-3-enyl)-4-methylbenzenesulfonamide?
The IUPAC name of N,N-bis(but-3-enyl)-4-methylbenzenesulfonamide (CID 11437431) is N,N-bis(but-3-enyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N,N-bis(but-3-enyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N,N-bis(but-3-enyl)-4-methylbenzenesulfonamide is C=CCCN(CCC=C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N,N-bis(but-3-enyl)-4-methylbenzenesulfonamide?
The InChIKey is PYKYBMYSBJLKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S/c1-4-6-12-16(13-7-5-2)19(17,18)15-10-8-14(3)9-11-15/h4-5,8-11H,1-2,6-7,12-13H2,3H3.
What are the key properties of N,N-bis(but-3-enyl)-4-methylbenzenesulfonamide?
N,N-bis(but-3-enyl)-4-methylbenzenesulfonamide has a molecular weight of 279.41 g/mol, XLogP of 3.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(but-3-enyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 11437431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).