1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene

C11H15F3N2O2S — CID 71921337

IUPAC1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene
SMILESCN(C)S(=O)(=O)Nc1ccccc1CCC(F)(F)F
InChIInChI=1S/C11H15F3N2O2S/c1-16(2)19(17,18)15-10-6-4-3-5-9(10)7-8-11(12,13)14/h3-6,15H,7-8H2,1-2H3
InChIKeyRCLWNNRPIGOENM-UHFFFAOYSA-N
MW296.31 g/mol
LogP2.40
Rot. Bonds5

About 1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene

1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene (PubChem CID 71921337) has the molecular formula C11H15F3N2O2S and a molecular weight of 296.31 g/mol. Its IUPAC name is 1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene.

Molecular Properties

Compound Name1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene
PubChem CID71921337
Molecular FormulaC11H15F3N2O2S
Molecular Weight296.31 g/mol
Exact Mass296.08
IUPAC Name1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene
SMILESCN(C)S(=O)(=O)Nc1ccccc1CCC(F)(F)F
InChIInChI=1S/C11H15F3N2O2S/c1-16(2)19(17,18)15-10-6-4-3-5-9(10)7-8-11(12,13)14/h3-6,15H,7-8H2,1-2H3
InChIKeyRCLWNNRPIGOENM-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene?
The IUPAC name of 1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene (CID 71921337) is 1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene.
What is the SMILES notation for 1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene?
The canonical SMILES for 1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene is CN(C)S(=O)(=O)Nc1ccccc1CCC(F)(F)F.
What is the InChIKey of 1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene?
The InChIKey is RCLWNNRPIGOENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O2S/c1-16(2)19(17,18)15-10-6-4-3-5-9(10)7-8-11(12,13)14/h3-6,15H,7-8H2,1-2H3.
What are the key properties of 1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene?
1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene has a molecular weight of 296.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylsulfamoylamino)-2-(3,3,3-trifluoropropyl)benzene is sourced from PubChem (CID 71921337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).