4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide

C12H17NO2S — CID 12623832

IUPAC4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide
SMILESC/C=C/C(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO2S/c1-4-5-11(3)13-16(14,15)12-8-6-10(2)7-9-12/h4-9,11,13H,1-3H3/b5-4+
InChIKeyYRCRNPMLPRGQQE-SNAWJCMRSA-N
MW239.34 g/mol
LogP2.24
Rot. Bonds4

About 4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide

4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide (PubChem CID 12623832) has the molecular formula C12H17NO2S and a molecular weight of 239.34 g/mol. Its IUPAC name is 4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide
PubChem CID12623832
Molecular FormulaC12H17NO2S
Molecular Weight239.34 g/mol
Exact Mass239.10
IUPAC Name4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide
SMILESC/C=C/C(C)NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C12H17NO2S/c1-4-5-11(3)13-16(14,15)12-8-6-10(2)7-9-12/h4-9,11,13H,1-3H3/b5-4+
InChIKeyYRCRNPMLPRGQQE-SNAWJCMRSA-N
XLogP2.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
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 4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide (CID 12623832) is 4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide is C/C=C/C(C)NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of 4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide?
The InChIKey is YRCRNPMLPRGQQE-SNAWJCMRSA-N. The full InChI is InChI=1S/C12H17NO2S/c1-4-5-11(3)13-16(14,15)12-8-6-10(2)7-9-12/h4-9,11,13H,1-3H3/b5-4+.
What are the key properties of 4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide?
4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide has a molecular weight of 239.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-pent-3-en-2-yl]benzenesulfonamide is sourced from PubChem (CID 12623832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).