2,5-dichloro-N-prop-2-enylbenzenesulfonamide

C9H9Cl2NO2S — CID 2175662

IUPAC2,5-dichloro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H9Cl2NO2S/c1-2-5-12-15(13,14)9-6-7(10)3-4-8(9)11/h2-4,6,12H,1,5H2
InChIKeyFDPQEHHWZMLSEJ-UHFFFAOYSA-N
MW266.15 g/mol
LogP2.46
Rot. Bonds4

About 2,5-dichloro-N-prop-2-enylbenzenesulfonamide

2,5-dichloro-N-prop-2-enylbenzenesulfonamide (PubChem CID 2175662) has the molecular formula C9H9Cl2NO2S and a molecular weight of 266.15 g/mol. Its IUPAC name is 2,5-dichloro-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-prop-2-enylbenzenesulfonamide
PubChem CID2175662
Molecular FormulaC9H9Cl2NO2S
Molecular Weight266.15 g/mol
Exact Mass264.97
IUPAC Name2,5-dichloro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C9H9Cl2NO2S/c1-2-5-12-15(13,14)9-6-7(10)3-4-8(9)11/h2-4,6,12H,1,5H2
InChIKeyFDPQEHHWZMLSEJ-UHFFFAOYSA-N
XLogP2.46
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.15
LogP ≤ 52.46
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 2,5-dichloro-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-prop-2-enylbenzenesulfonamide (CID 2175662) is 2,5-dichloro-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2,5-dichloro-N-prop-2-enylbenzenesulfonamide?
The InChIKey is FDPQEHHWZMLSEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2NO2S/c1-2-5-12-15(13,14)9-6-7(10)3-4-8(9)11/h2-4,6,12H,1,5H2.
What are the key properties of 2,5-dichloro-N-prop-2-enylbenzenesulfonamide?
2,5-dichloro-N-prop-2-enylbenzenesulfonamide has a molecular weight of 266.15 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 2175662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).