4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide

C16H14F3N5O2S — CID 135063668

IUPAC4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2cc(Nc3ccc(C(F)(F)F)cc3)n[nH]2)cc1
InChIInChI=1S/C16H14F3N5O2S/c17-16(18,19)10-1-3-11(4-2-10)21-14-9-15(24-23-14)22-12-5-7-13(8-6-12)27(20,25)26/h1-9H,(H2,20,25,26)(H3,21,22,23,24)
InChIKeyAAWKEJQFUWFCFB-UHFFFAOYSA-N
MW397.38 g/mol
LogP3.56
Rot. Bonds5

About 4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide

4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide (PubChem CID 135063668) has the molecular formula C16H14F3N5O2S and a molecular weight of 397.38 g/mol. Its IUPAC name is 4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide.

Molecular Properties

Compound Name4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide
PubChem CID135063668
Molecular FormulaC16H14F3N5O2S
Molecular Weight397.38 g/mol
Exact Mass397.08
IUPAC Name4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(Nc2cc(Nc3ccc(C(F)(F)F)cc3)n[nH]2)cc1
InChIInChI=1S/C16H14F3N5O2S/c17-16(18,19)10-1-3-11(4-2-10)21-14-9-15(24-23-14)22-12-5-7-13(8-6-12)27(20,25)26/h1-9H,(H2,20,25,26)(H3,21,22,23,24)
InChIKeyAAWKEJQFUWFCFB-UHFFFAOYSA-N
XLogP3.56
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.38
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide?
The IUPAC name of 4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide (CID 135063668) is 4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide.
What is the SMILES notation for 4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide?
The canonical SMILES for 4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide is NS(=O)(=O)c1ccc(Nc2cc(Nc3ccc(C(F)(F)F)cc3)n[nH]2)cc1.
What is the InChIKey of 4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide?
The InChIKey is AAWKEJQFUWFCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N5O2S/c17-16(18,19)10-1-3-11(4-2-10)21-14-9-15(24-23-14)22-12-5-7-13(8-6-12)27(20,25)26/h1-9H,(H2,20,25,26)(H3,21,22,23,24).
What are the key properties of 4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide?
4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide has a molecular weight of 397.38 g/mol, XLogP of 3.56, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[4-(trifluoromethyl)anilino]-1H-pyrazol-5-yl]amino]benzenesulfonamide is sourced from PubChem (CID 135063668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).