N-(1H-indazol-4-yl)methanesulfonamide

C8H9N3O2S — CID 1481965

IUPACN-(1H-indazol-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C8H9N3O2S/c1-14(12,13)11-8-4-2-3-7-6(8)5-9-10-7/h2-5,11H,1H3,(H,9,10)
InChIKeyCAMWAWBWBXRPRP-UHFFFAOYSA-N
MW211.25 g/mol
LogP0.93
Rot. Bonds2

About N-(1H-indazol-4-yl)methanesulfonamide

N-(1H-indazol-4-yl)methanesulfonamide (PubChem CID 1481965) has the molecular formula C8H9N3O2S and a molecular weight of 211.25 g/mol. Its IUPAC name is N-(1H-indazol-4-yl)methanesulfonamide.

Molecular Properties

Compound NameN-(1H-indazol-4-yl)methanesulfonamide
PubChem CID1481965
Molecular FormulaC8H9N3O2S
Molecular Weight211.25 g/mol
Exact Mass211.04
IUPAC NameN-(1H-indazol-4-yl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc2[nH]ncc12
InChIInChI=1S/C8H9N3O2S/c1-14(12,13)11-8-4-2-3-7-6(8)5-9-10-7/h2-5,11H,1H3,(H,9,10)
InChIKeyCAMWAWBWBXRPRP-UHFFFAOYSA-N
XLogP0.93
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-4-yl)methanesulfonamide?
The IUPAC name of N-(1H-indazol-4-yl)methanesulfonamide (CID 1481965) is N-(1H-indazol-4-yl)methanesulfonamide.
What is the SMILES notation for N-(1H-indazol-4-yl)methanesulfonamide?
The canonical SMILES for N-(1H-indazol-4-yl)methanesulfonamide is CS(=O)(=O)Nc1cccc2[nH]ncc12.
What is the InChIKey of N-(1H-indazol-4-yl)methanesulfonamide?
The InChIKey is CAMWAWBWBXRPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2S/c1-14(12,13)11-8-4-2-3-7-6(8)5-9-10-7/h2-5,11H,1H3,(H,9,10).
What are the key properties of N-(1H-indazol-4-yl)methanesulfonamide?
N-(1H-indazol-4-yl)methanesulfonamide has a molecular weight of 211.25 g/mol, XLogP of 0.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-4-yl)methanesulfonamide is sourced from PubChem (CID 1481965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).