2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide

C16H15Cl2NO2S — CID 100506092

IUPAC2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2NO2S/c1-3-10-19(15-7-5-4-6-12(15)2)22(20,21)16-11-13(17)8-9-14(16)18/h3-9,11H,1,10H2,2H3
InChIKeyKBOITBHUKAEQDS-UHFFFAOYSA-N
MW356.27 g/mol
LogP4.68
Rot. Bonds5

About 2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide

2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 100506092) has the molecular formula C16H15Cl2NO2S and a molecular weight of 356.27 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide
PubChem CID100506092
Molecular FormulaC16H15Cl2NO2S
Molecular Weight356.27 g/mol
Exact Mass355.02
IUPAC Name2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1ccccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2NO2S/c1-3-10-19(15-7-5-4-6-12(15)2)22(20,21)16-11-13(17)8-9-14(16)18/h3-9,11H,1,10H2,2H3
InChIKeyKBOITBHUKAEQDS-UHFFFAOYSA-N
XLogP4.68
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.27
LogP ≤ 54.68
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 2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide (CID 100506092) is 2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide is C=CCN(c1ccccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is KBOITBHUKAEQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO2S/c1-3-10-19(15-7-5-4-6-12(15)2)22(20,21)16-11-13(17)8-9-14(16)18/h3-9,11H,1,10H2,2H3.
What are the key properties of 2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide?
2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 356.27 g/mol, XLogP of 4.68, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-methylphenyl)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 100506092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).