N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide

C18H13FN4O2S — CID 155424832

IUPACN-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2n[nH]c3cc(F)ccc23)cc1)c1cccnc1
InChIInChI=1S/C18H13FN4O2S/c19-13-5-8-16-17(10-13)21-22-18(16)12-3-6-14(7-4-12)23-26(24,25)15-2-1-9-20-11-15/h1-11,23H,(H,21,22)
InChIKeyXZBWBKIKGZOWIA-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.56
Rot. Bonds4

About N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide

N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide (PubChem CID 155424832) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide
PubChem CID155424832
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC NameN-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2n[nH]c3cc(F)ccc23)cc1)c1cccnc1
InChIInChI=1S/C18H13FN4O2S/c19-13-5-8-16-17(10-13)21-22-18(16)12-3-6-14(7-4-12)23-26(24,25)15-2-1-9-20-11-15/h1-11,23H,(H,21,22)
InChIKeyXZBWBKIKGZOWIA-UHFFFAOYSA-N
XLogP3.56
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide?
The IUPAC name of N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide (CID 155424832) is N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide is O=S(=O)(Nc1ccc(-c2n[nH]c3cc(F)ccc23)cc1)c1cccnc1.
What is the InChIKey of N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide?
The InChIKey is XZBWBKIKGZOWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c19-13-5-8-16-17(10-13)21-22-18(16)12-3-6-14(7-4-12)23-26(24,25)15-2-1-9-20-11-15/h1-11,23H,(H,21,22).
What are the key properties of N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide?
N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide has a molecular weight of 368.39 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 155424832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).