N,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide

C13H13F3N2O5S2 — CID 87024607

IUPACN,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C13H13F3N2O5S2/c1-18(2)25(21,22)12-6-4-10(23-12)8-24(19,20)11-5-3-9(7-17-11)13(14,15)16/h3-7H,8H2,1-2H3
InChIKeyHUARCGVNTYUMAK-UHFFFAOYSA-N
MW398.38 g/mol
LogP1.92
Rot. Bonds5

About N,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide

N,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide (PubChem CID 87024607) has the molecular formula C13H13F3N2O5S2 and a molecular weight of 398.38 g/mol. Its IUPAC name is N,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide
PubChem CID87024607
Molecular FormulaC13H13F3N2O5S2
Molecular Weight398.38 g/mol
Exact Mass398.02
IUPAC NameN,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)o1
InChIInChI=1S/C13H13F3N2O5S2/c1-18(2)25(21,22)12-6-4-10(23-12)8-24(19,20)11-5-3-9(7-17-11)13(14,15)16/h3-7H,8H2,1-2H3
InChIKeyHUARCGVNTYUMAK-UHFFFAOYSA-N
XLogP1.92
TPSA97.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[5-(Trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxylic acid
CID 2821399
2-Fluoro-1-(4-methoxyphenyl)-2-(2-pyridinylsulfonyl)ethanone
CID 135073716
5-[Fluoro(pyridin-2-ylsulfonyl)methyl]furan-2-carbaldehyde
CID 135061276
Phenyl 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxylate
CID 2821412
Methyl 4-methoxy-5-[[methyl-oxo-[5-(trifluoromethyl)-2-pyridinyl]-lambda6-sulfanylidene]amino]sulfonylthiophene-3-carboxylate
CID 2822380
2-[5-methyl-2-(trifluoromethyl)furan-3-yl]sulfonyl-3,4-dihydro-1H-2,6-naphthyridine
CID 68845215
3-[[5-(Trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide
CID 118138040
N-[[5-(trifluoromethyl)furan-2-yl]methyl]pyridine-2-sulfonamide
CID 118138042
2-Methyl-1-[5-[[5-(trifluoromethyl)pyridin-2-yl]sulfanylmethyl]furan-2-yl]propan-1-one
CID 142817564
(NE)-N-(furan-2-ylmethylidene)pyridine-2-sulfonamide
CID 135057168
2-[(2-Furylmethyl)thio]-5-(trifluoromethyl)pyridine
CID 2780633
Methyl 5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-carboxylate
CID 2821394

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide?
The IUPAC name of N,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide (CID 87024607) is N,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide is CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)c2ccc(C(F)(F)F)cn2)o1.
What is the InChIKey of N,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide?
The InChIKey is HUARCGVNTYUMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O5S2/c1-18(2)25(21,22)12-6-4-10(23-12)8-24(19,20)11-5-3-9(7-17-11)13(14,15)16/h3-7H,8H2,1-2H3.
What are the key properties of N,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide?
N,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide has a molecular weight of 398.38 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[[5-(trifluoromethyl)-2-pyridinyl]sulfonylmethyl]furan-2-sulfonamide is sourced from PubChem (CID 87024607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).