2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide

C10H10Cl3NO2S — CID 114616458

IUPAC2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NO2S/c1-6(2)5-14-17(15,16)10-8(12)3-7(11)4-9(10)13/h3-4,14H,1,5H2,2H3
InChIKeyBREYPEBCQBKAGK-UHFFFAOYSA-N
MW314.62 g/mol
LogP3.50
Rot. Bonds4

About 2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide

2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide (PubChem CID 114616458) has the molecular formula C10H10Cl3NO2S and a molecular weight of 314.62 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide
PubChem CID114616458
Molecular FormulaC10H10Cl3NO2S
Molecular Weight314.62 g/mol
Exact Mass312.95
IUPAC Name2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide
SMILESC=C(C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NO2S/c1-6(2)5-14-17(15,16)10-8(12)3-7(11)4-9(10)13/h3-4,14H,1,5H2,2H3
InChIKeyBREYPEBCQBKAGK-UHFFFAOYSA-N
XLogP3.50
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.62
LogP ≤ 53.50
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

methyl 2-[(2,4,6-trichlorophenyl)sulfonylamino]acetate
CID 43624222
2,4,6-trichloro-N-prop-2-enylbenzenesulfonamide
CID 61060580
4-fluoro-2,6-dimethyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 107326601
3-bromo-4-chloro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 106546806
4-chloro-2-methyl-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616407
4-chloro-2-fluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616583
2,4,6-trichloro-N-[6-(methylamino)hexyl]benzenesulfonamide
CID 90737311
2-chloro-5-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 114615359
2,4,6-trichloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836427
2-chloro-4-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 107090333
4-chloro-N-(2-methylprop-2-enyl)-2-(trifluoromethyl)benzenesulfonamide
CID 114616396
2-bromo-4,6-difluoro-N-(2-methylprop-2-enyl)benzenesulfonamide
CID 114616375

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide (CID 114616458) is 2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide is C=C(C)CNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide?
The InChIKey is BREYPEBCQBKAGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl3NO2S/c1-6(2)5-14-17(15,16)10-8(12)3-7(11)4-9(10)13/h3-4,14H,1,5H2,2H3.
What are the key properties of 2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide?
2,4,6-trichloro-N-(2-methylprop-2-enyl)benzenesulfonamide has a molecular weight of 314.62 g/mol, XLogP of 3.50, 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-(2-methylprop-2-enyl)benzenesulfonamide is sourced from PubChem (CID 114616458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).