N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide

C16H14F3N3O4S — CID 122244881

IUPACN-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCn1cc(-c2ccoc2)cn1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H14F3N3O4S/c17-16(18,19)26-14-3-1-2-4-15(14)27(23,24)21-6-7-22-10-13(9-20-22)12-5-8-25-11-12/h1-5,8-11,21H,6-7H2
InChIKeyDCJBDVXUKKSKFO-UHFFFAOYSA-N
MW401.37 g/mol
LogP3.02
Rot. Bonds7

About N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide

N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 122244881) has the molecular formula C16H14F3N3O4S and a molecular weight of 401.37 g/mol. Its IUPAC name is N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID122244881
Molecular FormulaC16H14F3N3O4S
Molecular Weight401.37 g/mol
Exact Mass401.07
IUPAC NameN-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide
SMILESO=S(=O)(NCCn1cc(-c2ccoc2)cn1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C16H14F3N3O4S/c17-16(18,19)26-14-3-1-2-4-15(14)27(23,24)21-6-7-22-10-13(9-20-22)12-5-8-25-11-12/h1-5,8-11,21H,6-7H2
InChIKeyDCJBDVXUKKSKFO-UHFFFAOYSA-N
XLogP3.02
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.37
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide (CID 122244881) is N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide is O=S(=O)(NCCn1cc(-c2ccoc2)cn1)c1ccccc1OC(F)(F)F.
What is the InChIKey of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is DCJBDVXUKKSKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3O4S/c17-16(18,19)26-14-3-1-2-4-15(14)27(23,24)21-6-7-22-10-13(9-20-22)12-5-8-25-11-12/h1-5,8-11,21H,6-7H2.
What are the key properties of N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide?
N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 401.37 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 122244881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).