2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide

C28H20F2N6O3S — CID 71531982

IUPAC2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nn(C)c(-c4ccc5nccnc5c4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C28H20F2N6O3S/c1-36-27(17-4-7-23-24(12-17)32-10-9-31-23)20-11-16(3-6-22(20)34-36)18-13-25(28(39-2)33-15-18)35-40(37,38)26-8-5-19(29)14-21(26)30/h3-15,35H,1-2H3
InChIKeyGLLHDSYBKQGYIZ-UHFFFAOYSA-N
MW558.57 g/mol
LogP5.33
Rot. Bonds6

About 2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide

2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide (PubChem CID 71531982) has the molecular formula C28H20F2N6O3S and a molecular weight of 558.57 g/mol. Its IUPAC name is 2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide
PubChem CID71531982
Molecular FormulaC28H20F2N6O3S
Molecular Weight558.57 g/mol
Exact Mass558.13
IUPAC Name2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc3nn(C)c(-c4ccc5nccnc5c4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C28H20F2N6O3S/c1-36-27(17-4-7-23-24(12-17)32-10-9-31-23)20-11-16(3-6-22(20)34-36)18-13-25(28(39-2)33-15-18)35-40(37,38)26-8-5-19(29)14-21(26)30/h3-15,35H,1-2H3
InChIKeyGLLHDSYBKQGYIZ-UHFFFAOYSA-N
XLogP5.33
TPSA111.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.57
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2,4-difluoro-N-[2-methoxy-5-[2-methyl-3-(2-methyl-4-pyridinyl)indazol-5-yl]-3-pyridinyl]benzenesulfonamide
CID 71531936
2,4-difluoro-N-[2-methoxy-5-[4-[(E)-4-oxo-4-pyrrolidin-1-ylbut-2-en-2-yl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 162669761
2,4-difluoro-N-[2-methoxy-5-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 118352671
2,4-difluoro-N-(2-methoxy-5-pyrazolo[1,5-a]pyridin-5-yl-3-pyridinyl)benzenesulfonamide
CID 86729955
2,4-difluoro-N-[2-methoxy-5-[4-[(E)-3-(4-methylpiperazin-1-yl)-3-oxoprop-1-enyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 162669724
N-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 71532393
2,4-difluoro-N-[5-(4-fluoro-1-oxo-2H-isoquinolin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 169171469
N-[5-[4-(2,5-dihydropyridin-4-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 175875950
N-[5-[4-(5-tert-butylcyclooctyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 130291984
N-[5-[4-(3,4-dihydroazocin-7-yl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 123953305
2,4-difluoro-N-[2-methoxy-5-[4-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 74539863
N-[5-[2-amino-3-(3-methylphenyl)-4-oxoquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 57406339

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of 2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide (CID 71531982) is 2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for 2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc3nn(C)c(-c4ccc5nccnc5c4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide?
The InChIKey is GLLHDSYBKQGYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F2N6O3S/c1-36-27(17-4-7-23-24(12-17)32-10-9-31-23)20-11-16(3-6-22(20)34-36)18-13-25(28(39-2)33-15-18)35-40(37,38)26-8-5-19(29)14-21(26)30/h3-15,35H,1-2H3.
What are the key properties of 2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide?
2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide has a molecular weight of 558.57 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 71531982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).