N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide

C15H13F3N2O3S — CID 60594886

IUPACN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESN#CCCN(Cc1ccco1)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O3S/c16-15(17,18)13-6-1-2-7-14(13)24(21,22)20(9-4-8-19)11-12-5-3-10-23-12/h1-3,5-7,10H,4,9,11H2
InChIKeyRWWCQUWZTHJYOS-UHFFFAOYSA-N
MW358.34 g/mol
LogP3.40
Rot. Bonds6

About N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 60594886) has the molecular formula C15H13F3N2O3S and a molecular weight of 358.34 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID60594886
Molecular FormulaC15H13F3N2O3S
Molecular Weight358.34 g/mol
Exact Mass358.06
IUPAC NameN-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESN#CCCN(Cc1ccco1)S(=O)(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C15H13F3N2O3S/c16-15(17,18)13-6-1-2-7-14(13)24(21,22)20(9-4-8-19)11-12-5-3-10-23-12/h1-3,5-7,10H,4,9,11H2
InChIKeyRWWCQUWZTHJYOS-UHFFFAOYSA-N
XLogP3.40
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.34
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 61141132
N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 167880591
2-[[2-cyanoethyl(sulfamoyl)amino]methyl]furan
CID 112684205
2,4-dibromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)benzenesulfonamide
CID 60540684
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)thiophene-2-sulfonamide
CID 60510056
2-[2-cyanoethyl(furan-2-ylmethyl)sulfamoyl]propanoic acid
CID 61458170
2-[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylacetamide
CID 32888554
N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 167947468
2-[2-cyanoethyl(furan-2-ylmethyl)amino]-N-(2,2,2-trifluoroethylcarbamoyl)acetamide
CID 86911016
N-(furan-2-ylmethyl)-N-(2,2,2-trifluoroethyl)ethanesulfonamide
CID 64585550
2-bromo-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 63679913
2-(tert-butylamino)-N-(2-cyanoethyl)-N-(furan-2-ylmethyl)acetamide
CID 78923666

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 60594886) is N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide is N#CCCN(Cc1ccco1)S(=O)(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RWWCQUWZTHJYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3S/c16-15(17,18)13-6-1-2-7-14(13)24(21,22)20(9-4-8-19)11-12-5-3-10-23-12/h1-3,5-7,10H,4,9,11H2.
What are the key properties of N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 358.34 g/mol, XLogP of 3.40, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 60594886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).