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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Related Compounds

4-methylsulfonyl-N-[2-(3,3,3-trifluoropropyl)phenyl]benzamide
CID 167869776
N-(2-ethylphenyl)-2,2,2-trifluoroethanesulfonamide
CID 67575937
1-(dimethylsulfamoylamino)-2-propan-2-ylsulfanylbenzene
CID 71851414
(2S)-2-amino-N-[2-(3,3,3-trifluoropropyl)phenyl]propanamide;hydrochloride
CID 119343988
N,N-dimethyl-2-[2-(trifluoromethylsulfonylamino)phenyl]acetamide
CID 12833907
2-(dimethylsulfamoylamino)benzenecarbothioamide
CID 28788437
1-[[3-aminopropyl(methyl)sulfamoyl]amino]-2-(2-methoxyethyl)benzene
CID 102904867
N-[[2-[[ethyl(methyl)sulfamoyl]amino]phenyl]methyl]methanesulfonamide
CID 167823495
1-acetyl-2-(dimethylsulfamoylamino)benzene
CID 28788463
1-(aminomethyl)-2-[[methyl(propan-2-yl)sulfamoyl]amino]benzene
CID 54947668
2-[2-[[methyl(propan-2-yl)sulfamoyl]amino]phenyl]acetic acid
CID 62536120
2-hydroxy-2-methyl-3-[[2-(3,3,3-trifluoropropyl)phenyl]carbamoylamino]propanoic acid
CID 122086584

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).