[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate

C16H15F3N2O5S — CID 3848312

IUPAC[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3N2O5S/c1-21(2)27(23,24)26-14-7-3-11(4-8-14)15(22)20-12-5-9-13(10-6-12)25-16(17,18)19/h3-10H,1-2H3,(H,20,22)
InChIKeyFYGCMXIVJKTIHF-UHFFFAOYSA-N
MW404.37 g/mol
LogP3.02
Rot. Bonds6

About [4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate

[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate (PubChem CID 3848312) has the molecular formula C16H15F3N2O5S and a molecular weight of 404.37 g/mol. Its IUPAC name is [4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate.

Molecular Properties

Compound Name[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate
PubChem CID3848312
Molecular FormulaC16H15F3N2O5S
Molecular Weight404.37 g/mol
Exact Mass404.07
IUPAC Name[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate
SMILESCN(C)S(=O)(=O)Oc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H15F3N2O5S/c1-21(2)27(23,24)26-14-7-3-11(4-8-14)15(22)20-12-5-9-13(10-6-12)25-16(17,18)19/h3-10H,1-2H3,(H,20,22)
InChIKeyFYGCMXIVJKTIHF-UHFFFAOYSA-N
XLogP3.02
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate 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

4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-4-(trifluoromethoxy)benzamide
CID 4280881
4-sulfanyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 107020507
N-[4-chloro-3-(dimethylsulfamoyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 5134597
N-[4-(4-methylphenoxy)phenyl]-4-(trifluoromethoxy)benzamide
CID 7925236
4-methylsulfinyl-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 51191579
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-[6-(dimethylamino)-3-pyridinyl]-4-(trifluoromethoxy)benzamide
CID 37350824
4-(methylsulfanylmethyl)-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2526024
N-[2-(dimethylamino)pyrimidin-5-yl]-4-(trifluoromethoxy)benzamide
CID 122297980
N-(4-butan-2-ylphenyl)-4-(trifluoromethoxy)benzamide
CID 3323954
N-(4-phenyldiazenylphenyl)-4-(trifluoromethoxy)benzamide
CID 7927077

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate?
The IUPAC name of [4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate (CID 3848312) is [4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate.
What is the SMILES notation for [4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate?
The canonical SMILES for [4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate is CN(C)S(=O)(=O)Oc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of [4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate?
The InChIKey is FYGCMXIVJKTIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O5S/c1-21(2)27(23,24)26-14-7-3-11(4-8-14)15(22)20-12-5-9-13(10-6-12)25-16(17,18)19/h3-10H,1-2H3,(H,20,22).
What are the key properties of [4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate?
[4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate has a molecular weight of 404.37 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(trifluoromethoxy)phenyl]carbamoyl]phenyl] N,N-dimethylsulfamate is sourced from PubChem (CID 3848312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).