2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide

C15H19Cl2NO2S — CID 2941313

IUPAC2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCC2=CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO2S/c1-11-9-15(14(17)10-13(11)16)21(19,20)18-8-7-12-5-3-2-4-6-12/h5,9-10,18H,2-4,6-8H2,1H3
InChIKeyCGOMONODMWBMHC-UHFFFAOYSA-N
MW348.30 g/mol
LogP4.47
Rot. Bonds5

About 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide

2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide (PubChem CID 2941313) has the molecular formula C15H19Cl2NO2S and a molecular weight of 348.30 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide
PubChem CID2941313
Molecular FormulaC15H19Cl2NO2S
Molecular Weight348.30 g/mol
Exact Mass347.05
IUPAC Name2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)NCCC2=CCCCC2)c(Cl)cc1Cl
InChIInChI=1S/C15H19Cl2NO2S/c1-11-9-15(14(17)10-13(11)16)21(19,20)18-8-7-12-5-3-2-4-6-12/h5,9-10,18H,2-4,6-8H2,1H3
InChIKeyCGOMONODMWBMHC-UHFFFAOYSA-N
XLogP4.47
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 54.47
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 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide (CID 2941313) is 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide is Cc1cc(S(=O)(=O)NCCC2=CCCCC2)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide?
The InChIKey is CGOMONODMWBMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO2S/c1-11-9-15(14(17)10-13(11)16)21(19,20)18-8-7-12-5-3-2-4-6-12/h5,9-10,18H,2-4,6-8H2,1H3.
What are the key properties of 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide?
2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide has a molecular weight of 348.30 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-(cyclohexen-1-yl)ethyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 2941313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).