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

C14H12FN3O2S — CID 155424827

IUPACN-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2n[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C14H12FN3O2S/c1-21(19,20)18-11-5-2-9(3-6-11)14-12-7-4-10(15)8-13(12)16-17-14/h2-8,18H,1H3,(H,16,17)
InChIKeyMAAXBJWXEVWWAL-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.74
Rot. Bonds3

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

N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide (PubChem CID 155424827) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide
PubChem CID155424827
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC NameN-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2n[nH]c3cc(F)ccc23)cc1
InChIInChI=1S/C14H12FN3O2S/c1-21(19,20)18-11-5-2-9(3-6-11)14-12-7-4-10(15)8-13(12)16-17-14/h2-8,18H,1H3,(H,16,17)
InChIKeyMAAXBJWXEVWWAL-UHFFFAOYSA-N
XLogP2.74
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide?
The IUPAC name of N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide (CID 155424827) is N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide?
The canonical SMILES for N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2n[nH]c3cc(F)ccc23)cc1.
What is the InChIKey of N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide?
The InChIKey is MAAXBJWXEVWWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c1-21(19,20)18-11-5-2-9(3-6-11)14-12-7-4-10(15)8-13(12)16-17-14/h2-8,18H,1H3,(H,16,17).
What are the key properties of N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide?
N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide has a molecular weight of 305.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-fluoro-1H-indazol-3-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 155424827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).