1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene

C11H15F3N2O2S — CID 35302797

IUPAC1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene
SMILESCN(C)S(=O)(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2O2S/c1-16(2)19(17,18)15-8-7-9-3-5-10(6-4-9)11(12,13)14/h3-6,15H,7-8H2,1-2H3
InChIKeyLGSRNCZKFXGWLG-UHFFFAOYSA-N
MW296.31 g/mol
LogP1.64
Rot. Bonds5

About 1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene

1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene (PubChem CID 35302797) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene
PubChem CID35302797
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene
SMILESCN(C)S(=O)(=O)NCCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H15F3N2O2S/c1-16(2)19(17,18)15-8-7-9-3-5-10(6-4-9)11(12,13)14/h3-6,15H,7-8H2,1-2H3
InChIKeyLGSRNCZKFXGWLG-UHFFFAOYSA-N
XLogP1.64
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(dimethylsulfamoylamino)ethyl]-4-hydroxybenzene
CID 61017659
1-[2-(dimethylsulfamoylamino)ethyl]-4-propan-2-ylsulfonylbenzene
CID 110790785
N-(2-pyridin-4-ylethyl)-4-(trifluoromethyl)benzenesulfonamide
CID 3758461
N-[[4-(trifluoromethyl)phenyl]methyl]methanesulfonamide
CID 4637501
3-chloro-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzenesulfonamide
CID 30329371
5-(dimethylsulfamoyl)-2-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 17488969
1-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-methyl-3-[2-[4-(trifluoromethyl)phenyl]ethyl]guanidine
CID 111295581
N-[2-(furan-3-yl)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 71798515
2-(dimethylsulfamoylamino)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 112993422
N-ethyl-1-[4-(trifluoromethyl)phenyl]methanesulfonamide
CID 68662627
1-[2-(dimethylsulfamoylamino)ethyl]-2-fluorobenzene
CID 35310058
5-[2-(dimethylsulfamoylamino)ethyl]-2,3-dihydro-1-benzofuran
CID 110792417

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene?
The IUPAC name of 1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene (CID 35302797) is 1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene?
The canonical SMILES for 1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene is CN(C)S(=O)(=O)NCCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene?
The InChIKey is LGSRNCZKFXGWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-16(2)19(17,18)15-8-7-9-3-5-10(6-4-9)11(12,13)14/h3-6,15H,7-8H2,1-2H3.
What are the key properties of 1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene?
1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene has a molecular weight of 296.31 g/mol, XLogP of 1.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylsulfamoylamino)ethyl]-4-(trifluoromethyl)benzene is sourced from PubChem (CID 35302797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).