N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide

C17H10BrClF3N7O2S — CID 24803290

IUPACN-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Br)cnc1-c1nncn1-c1ccn[nH]1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H10BrClF3N7O2S/c18-9-5-13(15(23-7-9)16-27-25-8-29(16)14-3-4-24-26-14)28-32(30,31)10-1-2-12(19)11(6-10)17(20,21)22/h1-8,28H,(H,24,26)
InChIKeyVEZGETQIOASXND-UHFFFAOYSA-N
MW548.73 g/mol
LogP4.29
Rot. Bonds5

About N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide

N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 24803290) has the molecular formula C17H10BrClF3N7O2S and a molecular weight of 548.73 g/mol. Its IUPAC name is N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
PubChem CID24803290
Molecular FormulaC17H10BrClF3N7O2S
Molecular Weight548.73 g/mol
Exact Mass546.94
IUPAC NameN-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc(Br)cnc1-c1nncn1-c1ccn[nH]1)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C17H10BrClF3N7O2S/c18-9-5-13(15(23-7-9)16-27-25-8-29(16)14-3-4-24-26-14)28-32(30,31)10-1-2-12(19)11(6-10)17(20,21)22/h1-8,28H,(H,24,26)
InChIKeyVEZGETQIOASXND-UHFFFAOYSA-N
XLogP4.29
TPSA118.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500548.73
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide (CID 24803290) is N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc(Br)cnc1-c1nncn1-c1ccn[nH]1)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VEZGETQIOASXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrClF3N7O2S/c18-9-5-13(15(23-7-9)16-27-25-8-29(16)14-3-4-24-26-14)28-32(30,31)10-1-2-12(19)11(6-10)17(20,21)22/h1-8,28H,(H,24,26).
What are the key properties of N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide?
N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 548.73 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-[4-(1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]-3-pyridinyl]-4-chloro-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 24803290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).