N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide

C11H12Cl3NO3S — CID 15312074

IUPACN-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide
SMILESC=CCOC(NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H12Cl3NO3S/c1-2-8-18-10(11(12,13)14)15-19(16,17)9-6-4-3-5-7-9/h2-7,10,15H,1,8H2
InChIKeyLCIINYVOKPPWNZ-UHFFFAOYSA-N
MW344.65 g/mol
LogP2.86
Rot. Bonds6

About N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide

N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide (PubChem CID 15312074) has the molecular formula C11H12Cl3NO3S and a molecular weight of 344.65 g/mol. Its IUPAC name is N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide
PubChem CID15312074
Molecular FormulaC11H12Cl3NO3S
Molecular Weight344.65 g/mol
Exact Mass342.96
IUPAC NameN-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide
SMILESC=CCOC(NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl
InChIInChI=1S/C11H12Cl3NO3S/c1-2-8-18-10(11(12,13)14)15-19(16,17)9-6-4-3-5-7-9/h2-7,10,15H,1,8H2
InChIKeyLCIINYVOKPPWNZ-UHFFFAOYSA-N
XLogP2.86
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.65
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

[1-(benzenesulfonamido)-2,2,2-trichloroethyl] acetate
CID 3068217
N-(1-chlorohex-5-en-2-yl)benzenesulfonamide
CID 71390492
N-[2,2,2-trichloro-1-(cyclohexylideneamino)oxyethyl]benzenesulfonamide
CID 15566974
N-(2,2,2-trichloro-1-phenylethyl)benzenesulfonamide
CID 11760285
prop-2-enyl (2S,3S)-2-(benzenesulfonamido)-3-methylpentanoate
CID 139807925
N-(1,3-difluoropropan-2-yl)benzenesulfonamide
CID 67606525
N-(2,2-dimethyl-1-phenylbut-3-enyl)benzenesulfonamide
CID 15880370
cerium;prop-2-enyl benzenesulfonate
CID 174496226
ethyl 2-[benzenesulfonamido(phenyl)methyl]but-3-enoate
CID 11279844
methyl 2-[(4-phenylphenyl)sulfonylamino]pent-4-enoate
CID 23508264
4-chloro-N-[2,2-dichloro-1-(4-chlorophenoxy)-2-phenylethyl]benzenesulfonamide
CID 54771421
N-[(1S)-2,2,2-trichloro-1-(4-iodophenyl)ethyl]benzenesulfonamide
CID 1037783

Frequently Asked Questions

What is the IUPAC name of N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide?
The IUPAC name of N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide (CID 15312074) is N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide.
What is the SMILES notation for N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide?
The canonical SMILES for N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide is C=CCOC(NS(=O)(=O)c1ccccc1)C(Cl)(Cl)Cl.
What is the InChIKey of N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide?
The InChIKey is LCIINYVOKPPWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl3NO3S/c1-2-8-18-10(11(12,13)14)15-19(16,17)9-6-4-3-5-7-9/h2-7,10,15H,1,8H2.
What are the key properties of N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide?
N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide has a molecular weight of 344.65 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,2-trichloro-1-prop-2-enoxyethyl)benzenesulfonamide is sourced from PubChem (CID 15312074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).