N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

C34H31F2N7O7S2 — CID 66691781

IUPACN-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(-c3nnc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C34H31F2N7O7S2/c1-20-17-42(18-21(2)49-20)19-32-39-40-33(50-32)26-11-22(13-30-27(26)16-38-43(30)52(46,47)25-7-5-4-6-8-25)23-12-29(34(48-3)37-15-23)41-51(44,45)31-10-9-24(35)14-28(31)36/h4-16,20-21,41H,17-19H2,1-3H3/t20-,21+
InChIKeyREFKBKLQUUQLSU-OYRHEFFESA-N
MW751.79 g/mol
LogP5.08
Rot. Bonds10

About N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide

N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (PubChem CID 66691781) has the molecular formula C34H31F2N7O7S2 and a molecular weight of 751.79 g/mol. Its IUPAC name is N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
PubChem CID66691781
Molecular FormulaC34H31F2N7O7S2
Molecular Weight751.79 g/mol
Exact Mass751.17
IUPAC NameN-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(-c3nnc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C34H31F2N7O7S2/c1-20-17-42(18-21(2)49-20)19-32-39-40-33(50-32)26-11-22(13-30-27(26)16-38-43(30)52(46,47)25-7-5-4-6-8-25)23-12-29(34(48-3)37-15-23)41-51(44,45)31-10-9-24(35)14-28(31)36/h4-16,20-21,41H,17-19H2,1-3H3/t20-,21+
InChIKeyREFKBKLQUUQLSU-OYRHEFFESA-N
XLogP5.08
TPSA171.64 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500751.79
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Analyze N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The IUPAC name of N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide (CID 66691781) is N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The canonical SMILES for N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is COc1ncc(-c2cc(-c3nnc(CN4C[C@@H](C)O[C@@H](C)C4)o3)c3cnn(S(=O)(=O)c4ccccc4)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
The InChIKey is REFKBKLQUUQLSU-OYRHEFFESA-N. The full InChI is InChI=1S/C34H31F2N7O7S2/c1-20-17-42(18-21(2)49-20)19-32-39-40-33(50-32)26-11-22(13-30-27(26)16-38-43(30)52(46,47)25-7-5-4-6-8-25)23-12-29(34(48-3)37-15-23)41-51(44,45)31-10-9-24(35)14-28(31)36/h4-16,20-21,41H,17-19H2,1-3H3/t20-,21+.
What are the key properties of N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide?
N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide has a molecular weight of 751.79 g/mol, XLogP of 5.08, 10 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(benzenesulfonyl)-4-[5-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]-1,3,4-oxadiazol-2-yl]indazol-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide is sourced from PubChem (CID 66691781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).