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

C25H21ClF2N6O3S — CID 141259575

IUPAC4-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
SMILESC[C@@H](n1cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2n1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C25H21ClF2N6O3S/c1-16(25(35,13-33-15-29-14-30-33)22-8-4-19(27)11-23(22)28)34-12-17-10-20(5-9-24(17)31-34)32-38(36,37)21-6-2-18(26)3-7-21/h2-12,14-16,32,35H,13H2,1H3/t16-,25-/m1/s1
InChIKeyXCTADUWGMGKJGM-PUAOIOHZSA-N
MW559.00 g/mol
LogP4.51
Rot. Bonds8

About 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

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 (PubChem CID 141259575) has the molecular formula C25H21ClF2N6O3S and a molecular weight of 559.00 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-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
PubChem CID141259575
Molecular FormulaC25H21ClF2N6O3S
Molecular Weight559.00 g/mol
Exact Mass558.11
IUPAC Name4-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
SMILESC[C@@H](n1cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2n1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F
InChIInChI=1S/C25H21ClF2N6O3S/c1-16(25(35,13-33-15-29-14-30-33)22-8-4-19(27)11-23(22)28)34-12-17-10-20(5-9-24(17)31-34)32-38(36,37)21-6-2-18(26)3-7-21/h2-12,14-16,32,35H,13H2,1H3/t16-,25-/m1/s1
InChIKeyXCTADUWGMGKJGM-PUAOIOHZSA-N
XLogP4.51
TPSA114.93 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.00
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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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
(2R,3R)-2-(2,4-difluorophenyl)-3-[5-[(4-fluorophenyl)methylamino]indazol-2-yl]-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68644612
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
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
(2R,3R)-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)-3-[5-[[3-(trifluoromethyl)phenyl]methylamino]indazol-2-yl]butan-2-ol
CID 68644922
(2R,3R)-3-[3-(4-chlorophenyl)pyrazol-1-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 67148426
4-[[(4-cyanophenyl)methyl-[2-[(2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1,2,4-triazol-1-yl)butan-2-yl]indazol-5-yl]amino]methyl]benzonitrile
CID 68644599
(2R,3R)-3-[5-[bis[(3,5-dimethoxyphenyl)methyl]amino]indazol-2-yl]-2-(2,4-difluorophenyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 68644274
(2R,3R)-2-(2,4-difluorophenyl)-3-(methylsulfonimidoyl)-1-(1,2,4-triazol-1-yl)butan-2-ol
CID 25046791
(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
3-(2,4-difluorophenyl)-3-hydroxy-N,2-dimethyl-4-(1,2,4-triazol-1-yl)butanamide
CID 70521324

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H](n1cc2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2n1)[C@](O)(Cn1cncn1)c1ccc(F)cc1F.
What is the InChIKey of 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?
The InChIKey is XCTADUWGMGKJGM-PUAOIOHZSA-N. The full InChI is InChI=1S/C25H21ClF2N6O3S/c1-16(25(35,13-33-15-29-14-30-33)22-8-4-19(27)11-23(22)28)34-12-17-10-20(5-9-24(17)31-34)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-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?
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 has a molecular weight of 559.00 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 141259575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).