N-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide

C11H11F3N4O2S — CID 165103569

IUPACN-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1cc(NCC(F)(F)F)cn1)c1ccccc1
InChIInChI=1S/C11H11F3N4O2S/c12-11(13,14)8-15-9-6-16-18(7-9)17-21(19,20)10-4-2-1-3-5-10/h1-7,15,17H,8H2
InChIKeyYTDUYUTUFJCNMM-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.79
Rot. Bonds5

About N-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide

N-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide (PubChem CID 165103569) has the molecular formula C11H11F3N4O2S and a molecular weight of 320.30 g/mol. Its IUPAC name is N-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide
PubChem CID165103569
Molecular FormulaC11H11F3N4O2S
Molecular Weight320.30 g/mol
Exact Mass320.06
IUPAC NameN-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide
SMILESO=S(=O)(Nn1cc(NCC(F)(F)F)cn1)c1ccccc1
InChIInChI=1S/C11H11F3N4O2S/c12-11(13,14)8-15-9-6-16-18(7-9)17-21(19,20)10-4-2-1-3-5-10/h1-7,15,17H,8H2
InChIKeyYTDUYUTUFJCNMM-UHFFFAOYSA-N
XLogP1.79
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of N-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide (CID 165103569) is N-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for N-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for N-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide is O=S(=O)(Nn1cc(NCC(F)(F)F)cn1)c1ccccc1.
What is the InChIKey of N-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is YTDUYUTUFJCNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4O2S/c12-11(13,14)8-15-9-6-16-18(7-9)17-21(19,20)10-4-2-1-3-5-10/h1-7,15,17H,8H2.
What are the key properties of N-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide?
N-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 320.30 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,2-trifluoroethylamino)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 165103569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).