2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide

C13H19ClN2O2S — CID 76948208

IUPAC2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide
SMILESCC(C)NCCNS(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2S/c1-11(2)15-8-9-16-19(17,18)10-7-12-3-5-13(14)6-4-12/h3-7,10-11,15-16H,8-9H2,1-2H3
InChIKeyXYTWPCLCBIGEIC-UHFFFAOYSA-N
MW302.83 g/mol
LogP2.23
Rot. Bonds7

About 2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide

2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide (PubChem CID 76948208) has the molecular formula C13H19ClN2O2S and a molecular weight of 302.83 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide
PubChem CID76948208
Molecular FormulaC13H19ClN2O2S
Molecular Weight302.83 g/mol
Exact Mass302.09
IUPAC Name2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide
SMILESCC(C)NCCNS(=O)(=O)C=Cc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O2S/c1-11(2)15-8-9-16-19(17,18)10-7-12-3-5-13(14)6-4-12/h3-7,10-11,15-16H,8-9H2,1-2H3
InChIKeyXYTWPCLCBIGEIC-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.83
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide (CID 76948208) is 2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide is CC(C)NCCNS(=O)(=O)C=Cc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide?
The InChIKey is XYTWPCLCBIGEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2S/c1-11(2)15-8-9-16-19(17,18)10-7-12-3-5-13(14)6-4-12/h3-7,10-11,15-16H,8-9H2,1-2H3.
What are the key properties of 2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide?
2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide has a molecular weight of 302.83 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(propan-2-ylamino)ethyl]ethenesulfonamide is sourced from PubChem (CID 76948208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).