2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide

C7H11Cl3N2O3S — CID 134847390

IUPAC2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(Cl)(Cl)Cl)S(=O)(=O)N(C)C
InChIInChI=1S/C7H11Cl3N2O3S/c1-4-5-12(6(13)7(8,9)10)16(14,15)11(2)3/h4H,1,5H2,2-3H3
InChIKeyRVTARQWQDLOMLR-UHFFFAOYSA-N
MW309.60 g/mol
LogP1.18
Rot. Bonds4

About 2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide

2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide (PubChem CID 134847390) has the molecular formula C7H11Cl3N2O3S and a molecular weight of 309.60 g/mol. Its IUPAC name is 2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide
PubChem CID134847390
Molecular FormulaC7H11Cl3N2O3S
Molecular Weight309.60 g/mol
Exact Mass307.96
IUPAC Name2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide
SMILESC=CCN(C(=O)C(Cl)(Cl)Cl)S(=O)(=O)N(C)C
InChIInChI=1S/C7H11Cl3N2O3S/c1-4-5-12(6(13)7(8,9)10)16(14,15)11(2)3/h4H,1,5H2,2-3H3
InChIKeyRVTARQWQDLOMLR-UHFFFAOYSA-N
XLogP1.18
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.60
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trichloro-N,N-bis(prop-2-enyl)acetamide
CID 736559
chloromethane;N-methyl-N-prop-2-enylprop-2-en-1-amine;prop-2-enoic acid
CID 22495089
methanesulfonic acid;N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 89483061
2,2,2-trichloro-N-(4-methylphenyl)sulfonyl-N-oct-7-enylacetamide
CID 10741129
N,N'-dimethyl-N,N'-bis(prop-2-enyl)oxamide
CID 71483404
ethyl 2-[[methyl(propan-2-yl)sulfamoyl]-prop-2-enylamino]acetate
CID 78977560
6-chloro-2,2,3,3,4,4,5,5,6,6-decafluoro-N,N-bis(prop-2-enyl)hexanamide
CID 3525541
2-ethyl-N,2-dimethyl-N-prop-2-enylbutanamide
CID 14248676
2,2,2-trichloro-N-phenyl-N-prop-2-enylacetamide
CID 10901943
chloromethane;chromium;prop-2-enoic acid
CID 174311629
2-fluoro-N-methyl-N-prop-2-enylprop-2-enamide
CID 139381351
butane-2,3-dione;N,N-dimethylprop-2-en-1-amine;hydrochloride
CID 174374169

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide?
The IUPAC name of 2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide (CID 134847390) is 2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide?
The canonical SMILES for 2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide is C=CCN(C(=O)C(Cl)(Cl)Cl)S(=O)(=O)N(C)C.
What is the InChIKey of 2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide?
The InChIKey is RVTARQWQDLOMLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Cl3N2O3S/c1-4-5-12(6(13)7(8,9)10)16(14,15)11(2)3/h4H,1,5H2,2-3H3.
What are the key properties of 2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide?
2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide has a molecular weight of 309.60 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trichloro-N-(dimethylsulfamoyl)-N-prop-2-enylacetamide is sourced from PubChem (CID 134847390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).