4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide

C25H21BrF2N6O3S — CID 68644794

IUPAC4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide
SMILESC[C@@H](n1ncc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C25H21BrF2N6O3S/c1-16(25(35,13-33-15-29-14-31-33)22-8-4-19(27)11-23(22)28)34-24-9-5-20(10-17(24)12-30-34)32-38(36,37)21-6-2-18(26)3-7-21/h2-12,14-16,32,35H,13H2,1H3/t16-,25-/m1/s1
InChIKeyCZFAPFWNCIOYBE-PUAOIOHZSA-N
MW603.45 g/mol
LogP4.62
Rot. Bonds8

About 4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide

4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide (PubChem CID 68644794) has the molecular formula C25H21BrF2N6O3S and a molecular weight of 603.45 g/mol. Its IUPAC name is 4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide
PubChem CID68644794
Molecular FormulaC25H21BrF2N6O3S
Molecular Weight603.45 g/mol
Exact Mass602.05
IUPAC Name4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide
SMILESC[C@@H](n1ncc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C25H21BrF2N6O3S/c1-16(25(35,13-33-15-29-14-31-33)22-8-4-19(27)11-23(22)28)34-24-9-5-20(10-17(24)12-30-34)32-38(36,37)21-6-2-18(26)3-7-21/h2-12,14-16,32,35H,13H2,1H3/t16-,25-/m1/s1
InChIKeyCZFAPFWNCIOYBE-PUAOIOHZSA-N
XLogP4.62
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500603.45
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide 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

N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]-4-fluorobenzenesulfonamide
CID 68645024
2,5-dichloro-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide
CID 68644913
4-chloro-N-[2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide
CID 141259575
(2R,3R)-3-[5-(cyclohexylmethylamino)indazol-1-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68644776
(2R,3R)-2-(2,4-difluorophenyl)-3-[5-[(3,4-dimethylcyclohexyl)amino]indazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68644663
(2R,3R)-2-(2,4-difluorophenyl)-3-[5-[2-ethylbutyl(2-methylpropyl)amino]indazol-1-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68644966
7-bromo-3-[(2R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]pyrrolo[1,2-d][1,2,4]triazin-4-one
CID 137370990
(2R,3R)-2-(2,4-difluorophenyl)-3-(methylsulfonimidoyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 25046791
(2R,3R)-3-[5-[cyclohexylmethyl(2-methylpropyl)amino]indazol-1-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68644505
1-[3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]-N-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 91371100
(2R)-2-(2,4-difluorophenyl)-3-methyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 58961300
(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-2-methyl-4-(1,2,4-triazol-1-yl)butanal
CID 10588875

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide (CID 68644794) is 4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide is C[C@@H](n1ncc2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide?
The InChIKey is CZFAPFWNCIOYBE-PUAOIOHZSA-N. The full InChI is InChI=1S/C25H21BrF2N6O3S/c1-16(25(35,13-33-15-29-14-31-33)22-8-4-19(27)11-23(22)28)34-24-9-5-20(10-17(24)12-30-34)32-38(36,37)21-6-2-18(26)3-7-21/h2-12,14-16,32,35H,13H2,1H3/t16-,25-/m1/s1.
What are the key properties of 4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide?
4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide has a molecular weight of 603.45 g/mol, XLogP of 4.62, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 68644794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).