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

C19H12ClF3N4O3S — CID 155193333

IUPAC5-chloro-N-[2,4-difluoro-3-(7-fluoro-1H-indazol-6-yl)phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3cn[nH]c3c2F)c1F
InChIInChI=1S/C19H12ClF3N4O3S/c1-30-19-14(6-10(20)8-24-19)31(28,29)27-13-5-4-12(21)15(17(13)23)11-3-2-9-7-25-26-18(9)16(11)22/h2-8,27H,1H3,(H,25,26)
InChIKeyCHQGTQHJHLIIIB-UHFFFAOYSA-N
MW468.84 g/mol
LogP4.51
Rot. Bonds5

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

5-chloro-N-[2,4-difluoro-3-(7-fluoro-1H-indazol-6-yl)phenyl]-2-methoxypyridine-3-sulfonamide (PubChem CID 155193333) has the molecular formula C19H12ClF3N4O3S and a molecular weight of 468.84 g/mol. Its IUPAC name is 5-chloro-N-[2,4-difluoro-3-(7-fluoro-1H-indazol-6-yl)phenyl]-2-methoxypyridine-3-sulfonamide.

Molecular Properties

Compound Name5-chloro-N-[2,4-difluoro-3-(7-fluoro-1H-indazol-6-yl)phenyl]-2-methoxypyridine-3-sulfonamide
PubChem CID155193333
Molecular FormulaC19H12ClF3N4O3S
Molecular Weight468.84 g/mol
Exact Mass468.03
IUPAC Name5-chloro-N-[2,4-difluoro-3-(7-fluoro-1H-indazol-6-yl)phenyl]-2-methoxypyridine-3-sulfonamide
SMILESCOc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3cn[nH]c3c2F)c1F
InChIInChI=1S/C19H12ClF3N4O3S/c1-30-19-14(6-10(20)8-24-19)31(28,29)27-13-5-4-12(21)15(17(13)23)11-3-2-9-7-25-26-18(9)16(11)22/h2-8,27H,1H3,(H,25,26)
InChIKeyCHQGTQHJHLIIIB-UHFFFAOYSA-N
XLogP4.51
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.84
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2,4-difluoro-3-(7-fluoro-1H-indazol-6-yl)phenyl]-2-methoxypyridine-3-sulfonamide?
The IUPAC name of 5-chloro-N-[2,4-difluoro-3-(7-fluoro-1H-indazol-6-yl)phenyl]-2-methoxypyridine-3-sulfonamide (CID 155193333) is 5-chloro-N-[2,4-difluoro-3-(7-fluoro-1H-indazol-6-yl)phenyl]-2-methoxypyridine-3-sulfonamide.
What is the SMILES notation for 5-chloro-N-[2,4-difluoro-3-(7-fluoro-1H-indazol-6-yl)phenyl]-2-methoxypyridine-3-sulfonamide?
The canonical SMILES for 5-chloro-N-[2,4-difluoro-3-(7-fluoro-1H-indazol-6-yl)phenyl]-2-methoxypyridine-3-sulfonamide is COc1ncc(Cl)cc1S(=O)(=O)Nc1ccc(F)c(-c2ccc3cn[nH]c3c2F)c1F.
What is the InChIKey of 5-chloro-N-[2,4-difluoro-3-(7-fluoro-1H-indazol-6-yl)phenyl]-2-methoxypyridine-3-sulfonamide?
The InChIKey is CHQGTQHJHLIIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF3N4O3S/c1-30-19-14(6-10(20)8-24-19)31(28,29)27-13-5-4-12(21)15(17(13)23)11-3-2-9-7-25-26-18(9)16(11)22/h2-8,27H,1H3,(H,25,26).
What are the key properties of 5-chloro-N-[2,4-difluoro-3-(7-fluoro-1H-indazol-6-yl)phenyl]-2-methoxypyridine-3-sulfonamide?
5-chloro-N-[2,4-difluoro-3-(7-fluoro-1H-indazol-6-yl)phenyl]-2-methoxypyridine-3-sulfonamide has a molecular weight of 468.84 g/mol, XLogP of 4.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2,4-difluoro-3-(7-fluoro-1H-indazol-6-yl)phenyl]-2-methoxypyridine-3-sulfonamide is sourced from PubChem (CID 155193333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).