1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea

C9H9F3N2O3S — CID 23548404

IUPAC1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
SMILESCNC(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O3S/c1-13-8(15)14-18(16,17)7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)
InChIKeyUPQOHWHEGMWTTB-UHFFFAOYSA-N
MW282.24 g/mol
LogP1.32
Rot. Bonds2

About 1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea

1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea (PubChem CID 23548404) has the molecular formula C9H9F3N2O3S and a molecular weight of 282.24 g/mol. Its IUPAC name is 1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea.

Molecular Properties

Compound Name1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
PubChem CID23548404
Molecular FormulaC9H9F3N2O3S
Molecular Weight282.24 g/mol
Exact Mass282.03
IUPAC Name1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
SMILESCNC(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N2O3S/c1-13-8(15)14-18(16,17)7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15)
InChIKeyUPQOHWHEGMWTTB-UHFFFAOYSA-N
XLogP1.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.24
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 9302241
1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 154259938
2-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]propanoic acid
CID 61263607
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
N-[4-[[3-(trifluoromethyl)phenyl]sulfonylamino]phenyl]acetamide
CID 2465067
N-[(2-methylpropan-2-yl)oxy]-3-(trifluoromethyl)benzenesulfonamide
CID 82724634
4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzoic acid
CID 697781
4-methyl-3-pyrrol-1-yl-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166762
(E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 39846619
N-(cyanomethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3780840
N-(2-amino-2-methylpropyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119988015
4-chloro-N'-[3-(trifluoromethyl)phenyl]sulfonylbenzohydrazide
CID 8500429

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea?
The IUPAC name of 1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea (CID 23548404) is 1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea.
What is the SMILES notation for 1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea?
The canonical SMILES for 1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea is CNC(=O)NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea?
The InChIKey is UPQOHWHEGMWTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O3S/c1-13-8(15)14-18(16,17)7-4-2-3-6(5-7)9(10,11)12/h2-5H,1H3,(H2,13,14,15).
What are the key properties of 1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea?
1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea has a molecular weight of 282.24 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea is sourced from PubChem (CID 23548404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).