N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide

C19H12F6N2O4S — CID 10050743

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(S(=O)(=O)n2cccc2)ccc1O
InChIInChI=1S/C19H12F6N2O4S/c20-18(21,22)11-7-12(19(23,24)25)9-13(8-11)26-17(29)15-10-14(3-4-16(15)28)32(30,31)27-5-1-2-6-27/h1-10,28H,(H,26,29)
InChIKeyFQAFWZQDELNPCV-UHFFFAOYSA-N
MW478.37 g/mol
LogP4.72
Rot. Bonds4

About N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide (PubChem CID 10050743) has the molecular formula C19H12F6N2O4S and a molecular weight of 478.37 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide
PubChem CID10050743
Molecular FormulaC19H12F6N2O4S
Molecular Weight478.37 g/mol
Exact Mass478.04
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide
SMILESO=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(S(=O)(=O)n2cccc2)ccc1O
InChIInChI=1S/C19H12F6N2O4S/c20-18(21,22)11-7-12(19(23,24)25)9-13(8-11)26-17(29)15-10-14(3-4-16(15)28)32(30,31)27-5-1-2-6-27/h1-10,28H,(H,26,29)
InChIKeyFQAFWZQDELNPCV-UHFFFAOYSA-N
XLogP4.72
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.37
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-acetamido-N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 71554885
[3,5-bis(trifluoromethyl)phenyl] 3-[[3,5-bis(trifluoromethyl)phenyl]carbamoyl]-4-hydroxybenzoate
CID 11192744
5-amino-2-hydroxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 121356240
N-[3,5-bis(trifluoromethyl)phenyl]-5-(3,3-dimethylbutyl)-2-hydroxybenzamide
CID 87679807
N-[3-bromo-5-(trifluoromethyl)phenyl]-5-chloro-2-hydroxybenzamide
CID 71381238
5-chloro-2-hydroxy-N-[3-phenyl-5-(trifluoromethyl)phenyl]benzamide
CID 166523034
2-chloro-5-pyrrolidin-1-ylsulfonyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26087816
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-3-methylbenzamide
CID 57459273
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 10095074
N-[3,5-bis(trifluoromethyl)phenyl]-4-hydroxy-3-methylbenzamide
CID 59263648
N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 162733829
5-[3,5-bis(trifluoromethyl)phenyl]-1,4-dimethyl-N-(4-methylsulfonylphenyl)pyrrole-3-carboxamide
CID 87236285

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide (CID 10050743) is N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide is O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(S(=O)(=O)n2cccc2)ccc1O.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide?
The InChIKey is FQAFWZQDELNPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F6N2O4S/c20-18(21,22)11-7-12(19(23,24)25)9-13(8-11)26-17(29)15-10-14(3-4-16(15)28)32(30,31)27-5-1-2-6-27/h1-10,28H,(H,26,29).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide has a molecular weight of 478.37 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-hydroxy-5-pyrrol-1-ylsulfonylbenzamide is sourced from PubChem (CID 10050743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).