N-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide

C10H12FN3O2S — CID 90385910

IUPACN-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide
SMILESCc1ccc(F)c2c(NS(C)(=O)=O)nn(C)c12
InChIInChI=1S/C10H12FN3O2S/c1-6-4-5-7(11)8-9(6)14(2)12-10(8)13-17(3,15)16/h4-5H,1-3H3,(H,12,13)
InChIKeyGURZEMMVSNIZHA-UHFFFAOYSA-N
MW257.29 g/mol
LogP1.39
Rot. Bonds2

About N-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide

N-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide (PubChem CID 90385910) has the molecular formula C10H12FN3O2S and a molecular weight of 257.29 g/mol. Its IUPAC name is N-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide
PubChem CID90385910
Molecular FormulaC10H12FN3O2S
Molecular Weight257.29 g/mol
Exact Mass257.06
IUPAC NameN-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide
SMILESCc1ccc(F)c2c(NS(C)(=O)=O)nn(C)c12
InChIInChI=1S/C10H12FN3O2S/c1-6-4-5-7(11)8-9(6)14(2)12-10(8)13-17(3,15)16/h4-5H,1-3H3,(H,12,13)
InChIKeyGURZEMMVSNIZHA-UHFFFAOYSA-N
XLogP1.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide?
The IUPAC name of N-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide (CID 90385910) is N-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide.
What is the SMILES notation for N-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide?
The canonical SMILES for N-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide is Cc1ccc(F)c2c(NS(C)(=O)=O)nn(C)c12.
What is the InChIKey of N-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide?
The InChIKey is GURZEMMVSNIZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FN3O2S/c1-6-4-5-7(11)8-9(6)14(2)12-10(8)13-17(3,15)16/h4-5H,1-3H3,(H,12,13).
What are the key properties of N-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide?
N-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide has a molecular weight of 257.29 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-1,7-dimethylindazol-3-yl)methanesulfonamide is sourced from PubChem (CID 90385910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).