1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene

C12H17F3N2O3S — CID 107724506

IUPAC1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene
SMILESCN(CCCO)S(=O)(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O3S/c1-17(6-3-7-18)21(19,20)16-9-10-4-2-5-11(8-10)12(13,14)15/h2,4-5,8,16,18H,3,6-7,9H2,1H3
InChIKeyWRFNZAMLJJZBFK-UHFFFAOYSA-N
MW326.34 g/mol
LogP1.35
Rot. Bonds7

About 1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene

1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene (PubChem CID 107724506) has the molecular formula C12H17F3N2O3S and a molecular weight of 326.34 g/mol. Its IUPAC name is 1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene
PubChem CID107724506
Molecular FormulaC12H17F3N2O3S
Molecular Weight326.34 g/mol
Exact Mass326.09
IUPAC Name1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene
SMILESCN(CCCO)S(=O)(=O)NCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H17F3N2O3S/c1-17(6-3-7-18)21(19,20)16-9-10-4-2-5-11(8-10)12(13,14)15/h2,4-5,8,16,18H,3,6-7,9H2,1H3
InChIKeyWRFNZAMLJJZBFK-UHFFFAOYSA-N
XLogP1.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.34
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-[ethylsulfonyl(methyl)amino]propyl]-2-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 111267426
N-(5-hydroxypentyl)-N-methyl-2-[3-(trifluoromethyl)phenyl]acetamide
CID 107202415
5-[[3-(trifluoromethyl)phenyl]methylamino]pentan-1-ol
CID 62227696
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
2-[methyl-[[3-(trifluoromethyl)phenyl]methylsulfonyl]amino]acetate
CID 19837767
3-acetyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 2442733
hydroxy-[3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]carbamic acid
CID 87514540
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
3,4-diethoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 47009155
3-[methyl-[2-[3-(trifluoromethyl)phenyl]acetyl]amino]propanoic acid
CID 60988760
N-[2-[3-(trifluoromethyl)phenyl]ethyl]methanesulfonamide
CID 5156375
5-bromo-2-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 3769596

Frequently Asked Questions

What is the IUPAC name of 1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene?
The IUPAC name of 1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene (CID 107724506) is 1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene is CN(CCCO)S(=O)(=O)NCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene?
The InChIKey is WRFNZAMLJJZBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O3S/c1-17(6-3-7-18)21(19,20)16-9-10-4-2-5-11(8-10)12(13,14)15/h2,4-5,8,16,18H,3,6-7,9H2,1H3.
What are the key properties of 1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene?
1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene has a molecular weight of 326.34 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[[3-hydroxypropyl(methyl)sulfamoyl]amino]methyl]-3-(trifluoromethyl)benzene is sourced from PubChem (CID 107724506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).