2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide

C9H8Cl3NO2S — CID 61060580

IUPAC2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3NO2S/c1-2-3-13-16(14,15)9-7(11)4-6(10)5-8(9)12/h2,4-5,13H,1,3H2
InChIKeyOCOVKAMGGSUDKX-UHFFFAOYSA-N
MW300.59 g/mol
LogP3.11
Rot. Bonds4

About 2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide

2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide (PubChem CID 61060580) has the molecular formula C9H8Cl3NO2S and a molecular weight of 300.59 g/mol. Its IUPAC name is 2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide
PubChem CID61060580
Molecular FormulaC9H8Cl3NO2S
Molecular Weight300.59 g/mol
Exact Mass298.93
IUPAC Name2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide
SMILESC=CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl3NO2S/c1-2-3-13-16(14,15)9-7(11)4-6(10)5-8(9)12/h2,4-5,13H,1,3H2
InChIKeyOCOVKAMGGSUDKX-UHFFFAOYSA-N
XLogP3.11
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.59
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616458
3-amino-6-chloro-2-hydroxy-N-prop-2-enylbenzenesulfonamide
CID 18373522
2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide
CID 90737311
methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate
CID 43624222
2,4,6-trichloro-N-[2-(diethylamino)propyl]benzenesulfonamide
CID 55871539
3-amino-2,4,6-trimethyl-N-prop-2-enylbenzenesulfonamide
CID 113469282
2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039704
1-(4-chlorophenyl)-N-prop-2-enylmethanesulfonamide
CID 18891250
3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 107325687
N-[(3-aminophenyl)methyl]-2,4,6-trichlorobenzenesulfonamide
CID 43593561
N-[2-(2,4,6-trichlorophenoxy)ethyl]prop-2-en-1-amine
CID 21286525
(2,4,6-trichlorophenyl) (E)-4-oxo-4-(prop-2-enylamino)but-2-enoate
CID 91715827

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide (CID 61060580) is 2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide is C=CCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide?
The InChIKey is OCOVKAMGGSUDKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl3NO2S/c1-2-3-13-16(14,15)9-7(11)4-6(10)5-8(9)12/h2,4-5,13H,1,3H2.
What are the key properties of 2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide?
2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide has a molecular weight of 300.59 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 61060580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).