N-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide

C16H12F3NO5S — CID 71883900

IUPACN-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc2c1OCCO2
InChIInChI=1S/C16H12F3NO5S/c17-16(18,19)10-3-1-4-11(9-10)26(22,23)20-15(21)12-5-2-6-13-14(12)25-8-7-24-13/h1-6,9H,7-8H2,(H,20,21)
InChIKeyQBNGANITABTAQC-UHFFFAOYSA-N
MW387.34 g/mol
LogP2.60
Rot. Bonds3

About N-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide

N-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide (PubChem CID 71883900) has the molecular formula C16H12F3NO5S and a molecular weight of 387.34 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
PubChem CID71883900
Molecular FormulaC16H12F3NO5S
Molecular Weight387.34 g/mol
Exact Mass387.04
IUPAC NameN-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc2c1OCCO2
InChIInChI=1S/C16H12F3NO5S/c17-16(18,19)10-3-1-4-11(9-10)26(22,23)20-15(21)12-5-2-6-13-14(12)25-8-7-24-13/h1-6,9H,7-8H2,(H,20,21)
InChIKeyQBNGANITABTAQC-UHFFFAOYSA-N
XLogP2.60
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 23548404
2-[(4-chlorophenyl)methoxy]-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110077557
N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
1-cyclohexyl-3-[3-(trifluoromethyl)phenyl]sulfonylurea
CID 154259938
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
(3S)-4-ethyl-N-[3-(trifluoromethyl)phenyl]sulfonylmorpholine-3-carboxamide
CID 97257785
N-[2-(morpholine-4-carbonyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 31813108
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
1-(2,3-dihydro-1,4-benzodioxin-5-yl)-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 60543221
4-methyl-3-pyrrol-1-yl-N-[3-(trifluoromethyl)phenyl]sulfonylbenzamide
CID 110166762
5-chloro-N-(3-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 71894447
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine
CID 25243777

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide (CID 71883900) is N-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide is O=C(NS(=O)(=O)c1cccc(C(F)(F)F)c1)c1cccc2c1OCCO2.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
The InChIKey is QBNGANITABTAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO5S/c17-16(18,19)10-3-1-4-11(9-10)26(22,23)20-15(21)12-5-2-6-13-14(12)25-8-7-24-13/h1-6,9H,7-8H2,(H,20,21).
What are the key properties of N-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide?
N-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide has a molecular weight of 387.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydro-1,4-benzodioxine-5-carboxamide is sourced from PubChem (CID 71883900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).