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N-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide

C14H12N4O2S — CID 122181355

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C14H12N4O2S/c1-2-21(19,20)18-11-3-4-13-12(9-11)14(17-16-13)10-5-7-15-8-6-10/h2-9,18H,1H2,(H,16,17)
InChIKeyMIISUCGGVANLKC-UHFFFAOYSA-N
MW300.34 g/mol
LogP2.51
Rot. Bonds4

About N-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide

N-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide (PubChem CID 122181355) has the molecular formula C14H12N4O2S and a molecular weight of 300.34 g/mol. Its IUPAC name is N-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide.

Molecular Properties

Compound NameN-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide
PubChem CID122181355
Molecular FormulaC14H12N4O2S
Molecular Weight300.34 g/mol
Exact Mass300.07
IUPAC NameN-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide
SMILESC=CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1
InChIInChI=1S/C14H12N4O2S/c1-2-21(19,20)18-11-3-4-13-12(9-11)14(17-16-13)10-5-7-15-8-6-10/h2-9,18H,1H2,(H,16,17)
InChIKeyMIISUCGGVANLKC-UHFFFAOYSA-N
XLogP2.51
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.34
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide?
The IUPAC name of N-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide (CID 122181355) is N-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide.
What is the SMILES notation for N-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide?
The canonical SMILES for N-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide is C=CS(=O)(=O)Nc1ccc2[nH]nc(-c3ccncc3)c2c1.
What is the InChIKey of N-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide?
The InChIKey is MIISUCGGVANLKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2S/c1-2-21(19,20)18-11-3-4-13-12(9-11)14(17-16-13)10-5-7-15-8-6-10/h2-9,18H,1H2,(H,16,17).
What are the key properties of N-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide?
N-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide has a molecular weight of 300.34 g/mol, XLogP of 2.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-4-yl-1H-indazol-5-yl)ethenesulfonamide is sourced from PubChem (CID 122181355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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