5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide

C22H14ClF3N6O3S — CID 166048230

IUPAC5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F
InChIInChI=1S/C22H14ClF3N6O3S/c1-35-22-15(8-10(23)9-29-22)36(33,34)32-14-5-4-13(24)16(18(14)26)11-2-3-12-19(17(11)25)30-31-20(12)21-27-6-7-28-21/h2-9,32H,1H3,(H,27,28)(H,30,31)
InChIKeyGTWIXNVMRVUZIO-UHFFFAOYSA-N
MW534.91 g/mol
LogP4.90
Rot. Bonds6

About 5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide

5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 166048230) has the molecular formula C22H14ClF3N6O3S and a molecular weight of 534.91 g/mol. Its IUPAC name is 5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
PubChem CID166048230
Molecular FormulaC22H14ClF3N6O3S
Molecular Weight534.91 g/mol
Exact Mass534.05
IUPAC Name5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F
InChIInChI=1S/C22H14ClF3N6O3S/c1-35-22-15(8-10(23)9-29-22)36(33,34)32-14-5-4-13(24)16(18(14)26)11-2-3-12-19(17(11)25)30-31-20(12)21-27-6-7-28-21/h2-9,32H,1H3,(H,27,28)(H,30,31)
InChIKeyGTWIXNVMRVUZIO-UHFFFAOYSA-N
XLogP4.90
TPSA125.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.91
LogP ≤ 54.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide (CID 166048230) is 5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3c(-c4ncc[nH]4)[nH]nc3c2F)c1F.
What is the InChIKey of 5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
The InChIKey is GTWIXNVMRVUZIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14ClF3N6O3S/c1-35-22-15(8-10(23)9-29-22)36(33,34)32-14-5-4-13(24)16(18(14)26)11-2-3-12-19(17(11)25)30-31-20(12)21-27-6-7-28-21/h2-9,32H,1H3,(H,27,28)(H,30,31).
What are the key properties of 5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide?
5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 534.91 g/mol, XLogP of 4.90, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2,4-difluoro-3-[7-fluoro-3-(1H-imidazol-2-yl)-2H-indazol-6-yl]phenyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 166048230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).