1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene

C12H17F3N2O3S — CID 71911336

IUPAC1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene
SMILESCCN(C)S(=O)(=O)NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O3S/c1-3-17(2)21(19,20)16-8-11(18)9-5-4-6-10(7-9)12(13,14)15/h4-7,11,16,18H,3,8H2,1-2H3
InChIKeyPBZPGTRTNZCDIH-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.52
Rot. Bonds6

About 1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene

1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene (PubChem CID 71911336) has the molecular formula C12H17F3N2O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is 1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene
PubChem CID71911336
Molecular FormulaC12H17F3N2O3S
Molecular Weight326.34 g/mol
Exact Mass326.09
IUPAC Name1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene
SMILESCCN(C)S(=O)(=O)NCC(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O3S/c1-3-17(2)21(19,20)16-8-11(18)9-5-4-6-10(7-9)12(13,14)15/h4-7,11,16,18H,3,8H2,1-2H3
InChIKeyPBZPGTRTNZCDIH-UHFFFAOYSA-N
XLogP1.52
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2,5-dimethylbenzenesulfonamide
CID 166232803
2-(propan-2-ylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60903667
2-(dimethylamino)-1-[3-(trifluoromethyl)phenyl]ethanol
CID 60981029
3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-1-ol
CID 63890426
1-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-3-prop-2-ynylurea
CID 111108600
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-propoxyacetamide
CID 111108654
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2-propylsulfanylacetamide
CID 111108741
2-[methyl(propyl)amino]-1-[3-(trifluoromethyl)phenyl]ethanol
CID 48542193
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90534857
2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]amino]-2-methylbutan-1-ol
CID 64548724
N-[2-hydroxy-2-[3-(trifluoromethyl)phenyl]ethyl]-2,3-dimethylbenzamide
CID 111108691
2-methylsulfanyl-1-[3-(trifluoromethyl)phenyl]ethanol
CID 62791843

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene (CID 71911336) is 1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene is CCN(C)S(=O)(=O)NCC(O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene?
The InChIKey is PBZPGTRTNZCDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3S/c1-3-17(2)21(19,20)16-8-11(18)9-5-4-6-10(7-9)12(13,14)15/h4-7,11,16,18H,3,8H2,1-2H3.
What are the key properties of 1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene?
1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene has a molecular weight of 326.34 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[ethyl(methyl)sulfamoyl]amino]-1-hydroxyethyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 71911336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).