N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

C17H15F3N4O2S — CID 71807876

IUPACN-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1ccc(-c2ccncc2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N4O2S/c18-17(19,20)14-1-3-15(4-2-14)27(25,26)22-10-12-24-11-7-16(23-24)13-5-8-21-9-6-13/h1-9,11,22H,10,12H2
InChIKeyOMQAKQQMKYLRND-UHFFFAOYSA-N
MW396.39 g/mol
LogP2.94
Rot. Bonds6

About N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide

N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 71807876) has the molecular formula C17H15F3N4O2S and a molecular weight of 396.39 g/mol. Its IUPAC name is N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
PubChem CID71807876
Molecular FormulaC17H15F3N4O2S
Molecular Weight396.39 g/mol
Exact Mass396.09
IUPAC NameN-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCCn1ccc(-c2ccncc2)n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H15F3N4O2S/c18-17(19,20)14-1-3-15(4-2-14)27(25,26)22-10-12-24-11-7-16(23-24)13-5-8-21-9-6-13/h1-9,11,22H,10,12H2
InChIKeyOMQAKQQMKYLRND-UHFFFAOYSA-N
XLogP2.94
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide (CID 71807876) is N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCCn1ccc(-c2ccncc2)n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OMQAKQQMKYLRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N4O2S/c18-17(19,20)14-1-3-15(4-2-14)27(25,26)22-10-12-24-11-7-16(23-24)13-5-8-21-9-6-13/h1-9,11,22H,10,12H2.
What are the key properties of N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide?
N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 396.39 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-pyridin-4-ylpyrazol-1-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 71807876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).