(E)-N-butyl-2-phenylethenesulfonamide

C12H17NO2S — CID 2442127

IUPAC(E)-N-butyl-2-phenylethenesulfonamide
SMILESCCCCNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-2-3-10-13-16(14,15)11-9-12-7-5-4-6-8-12/h4-9,11,13H,2-3,10H2,1H3/b11-9+
InChIKeyPZDKTCRAXMQZTK-PKNBQFBNSA-N
MW239.34 g/mol
LogP2.38
Rot. Bonds6

About (E)-N-butyl-2-phenylethenesulfonamide

(E)-N-butyl-2-phenylethenesulfonamide (PubChem CID 2442127) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is (E)-N-butyl-2-phenylethenesulfonamide.

Molecular Properties

Compound Name(E)-N-butyl-2-phenylethenesulfonamide
PubChem CID2442127
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name(E)-N-butyl-2-phenylethenesulfonamide
SMILESCCCCNS(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C12H17NO2S/c1-2-3-10-13-16(14,15)11-9-12-7-5-4-6-8-12/h4-9,11,13H,2-3,10H2,1H3/b11-9+
InChIKeyPZDKTCRAXMQZTK-PKNBQFBNSA-N
XLogP2.38
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 ≤ 52.38
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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Frequently Asked Questions

What is the IUPAC name of (E)-N-butyl-2-phenylethenesulfonamide?
The IUPAC name of (E)-N-butyl-2-phenylethenesulfonamide (CID 2442127) is (E)-N-butyl-2-phenylethenesulfonamide.
What is the SMILES notation for (E)-N-butyl-2-phenylethenesulfonamide?
The canonical SMILES for (E)-N-butyl-2-phenylethenesulfonamide is CCCCNS(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-butyl-2-phenylethenesulfonamide?
The InChIKey is PZDKTCRAXMQZTK-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-2-3-10-13-16(14,15)11-9-12-7-5-4-6-8-12/h4-9,11,13H,2-3,10H2,1H3/b11-9+.
What are the key properties of (E)-N-butyl-2-phenylethenesulfonamide?
(E)-N-butyl-2-phenylethenesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-butyl-2-phenylethenesulfonamide is sourced from PubChem (CID 2442127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).