N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide

C23H17F3N4O3S — CID 56670130

IUPACN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F3N4O3S/c24-23(25,26)17-11-9-15(10-12-17)22(31)27-21-14-20(28-29-21)16-5-4-6-18(13-16)30-34(32,33)19-7-2-1-3-8-19/h1-14,30H,(H2,27,28,29,31)
InChIKeyHGVOWSBUFUYTBO-UHFFFAOYSA-N
MW486.48 g/mol
LogP5.15
Rot. Bonds6

About N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide

N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide (PubChem CID 56670130) has the molecular formula C23H17F3N4O3S and a molecular weight of 486.48 g/mol. Its IUPAC name is N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide
PubChem CID56670130
Molecular FormulaC23H17F3N4O3S
Molecular Weight486.48 g/mol
Exact Mass486.10
IUPAC NameN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C23H17F3N4O3S/c24-23(25,26)17-11-9-15(10-12-17)22(31)27-21-14-20(28-29-21)16-5-4-6-18(13-16)30-34(32,33)19-7-2-1-3-8-19/h1-14,30H,(H2,27,28,29,31)
InChIKeyHGVOWSBUFUYTBO-UHFFFAOYSA-N
XLogP5.15
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.48
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide (CID 56670130) is N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide is O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide?
The InChIKey is HGVOWSBUFUYTBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O3S/c24-23(25,26)17-11-9-15(10-12-17)22(31)27-21-14-20(28-29-21)16-5-4-6-18(13-16)30-34(32,33)19-7-2-1-3-8-19/h1-14,30H,(H2,27,28,29,31).
What are the key properties of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide?
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide has a molecular weight of 486.48 g/mol, XLogP of 5.15, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 56670130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).