3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide

C14H12FN3O2S — CID 10425185

IUPAC3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide
SMILESCc1[nH]nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc12
InChIInChI=1S/C14H12FN3O2S/c1-9-13-8-11(5-6-14(13)17-16-9)18-21(19,20)12-4-2-3-10(15)7-12/h2-8,18H,1H3,(H,16,17)
InChIKeyHGMGIWTWOLKILD-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.81
Rot. Bonds3

About 3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide

3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide (PubChem CID 10425185) has the molecular formula C14H12FN3O2S and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide
PubChem CID10425185
Molecular FormulaC14H12FN3O2S
Molecular Weight305.33 g/mol
Exact Mass305.06
IUPAC Name3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide
SMILESCc1[nH]nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc12
InChIInChI=1S/C14H12FN3O2S/c1-9-13-8-11(5-6-14(13)17-16-9)18-21(19,20)12-4-2-3-10(15)7-12/h2-8,18H,1H3,(H,16,17)
InChIKeyHGMGIWTWOLKILD-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide (CID 10425185) is 3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide is Cc1[nH]nc2ccc(NS(=O)(=O)c3cccc(F)c3)cc12.
What is the InChIKey of 3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide?
The InChIKey is HGMGIWTWOLKILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2S/c1-9-13-8-11(5-6-14(13)17-16-9)18-21(19,20)12-4-2-3-10(15)7-12/h2-8,18H,1H3,(H,16,17).
What are the key properties of 3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide?
3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide has a molecular weight of 305.33 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(3-methyl-2H-indazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 10425185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).