N-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C27H22F2N4O5S — CID 71532393

IUPACN-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ccc(-c2n[nH]c3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)cc1OC
InChIInChI=1S/C27H22F2N4O5S/c1-36-23-8-5-16(12-24(23)37-2)26-19-10-15(4-7-21(19)31-32-26)17-11-22(27(38-3)30-14-17)33-39(34,35)25-9-6-18(28)13-20(25)29/h4-14,33H,1-3H3,(H,31,32)
InChIKeyLURDYGASEKOWDE-UHFFFAOYSA-N
MW552.56 g/mol
LogP5.40
Rot. Bonds8

About N-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 71532393) has the molecular formula C27H22F2N4O5S and a molecular weight of 552.56 g/mol. Its IUPAC name is N-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID71532393
Molecular FormulaC27H22F2N4O5S
Molecular Weight552.56 g/mol
Exact Mass552.13
IUPAC NameN-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ccc(-c2n[nH]c3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)cc1OC
InChIInChI=1S/C27H22F2N4O5S/c1-36-23-8-5-16(12-24(23)37-2)26-19-10-15(4-7-21(19)31-32-26)17-11-22(27(38-3)30-14-17)33-39(34,35)25-9-6-18(28)13-20(25)29/h4-14,33H,1-3H3,(H,31,32)
InChIKeyLURDYGASEKOWDE-UHFFFAOYSA-N
XLogP5.40
TPSA115.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.56
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-difluoro-N-[5-(4-fluoro-1-oxo-2H-isoquinolin-7-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 169171469
2,4-difluoro-N-[2-methoxy-5-(2-methyl-3-quinoxalin-6-ylindazol-5-yl)-3-pyridinyl]benzenesulfonamide
CID 71531982
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-pyrazolo[1,5-a]pyridin-5-yl-3-pyridinyl)benzenesulfonamide
CID 86729955
N-[5-[8-(difluoromethoxy)-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197573
N-[5-[2-amino-3-(2-methoxy-5-propan-2-ylphenyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 66800560
N-[5-[4-amino-3-(butylamino)phenyl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 123172493
N-[5-[4-amino-3-(3-iodopropylamino)phenyl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 89304055
N-[5-[4-(2,5-dihydropyridin-4-yl)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 175875950
2,4-difluoro-N-[5-(3-iodoimidazo[1,2-a]pyridin-6-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
CID 86718346
N-[5-[4-(5-tert-butylcyclooctyl)quinolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 130291984
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

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 71532393) is N-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ccc(-c2n[nH]c3ccc(-c4cnc(OC)c(NS(=O)(=O)c5ccc(F)cc5F)c4)cc23)cc1OC.
What is the InChIKey of N-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is LURDYGASEKOWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F2N4O5S/c1-36-23-8-5-16(12-24(23)37-2)26-19-10-15(4-7-21(19)31-32-26)17-11-22(27(38-3)30-14-17)33-39(34,35)25-9-6-18(28)13-20(25)29/h4-14,33H,1-3H3,(H,31,32).
What are the key properties of N-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 552.56 g/mol, XLogP of 5.40, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(3,4-dimethoxyphenyl)-1H-indazol-5-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 71532393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).