N-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide

C13H11FN4O2S — CID 22319642

IUPACN-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide
SMILESNc1n[nH]c2ccc(NS(=O)(=O)c3cccc(F)c3)cc12
InChIInChI=1S/C13H11FN4O2S/c14-8-2-1-3-10(6-8)21(19,20)18-9-4-5-12-11(7-9)13(15)17-16-12/h1-7,18H,(H3,15,16,17)
InChIKeyRGWZMNYEINMLSB-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.09
Rot. Bonds3

About N-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide

N-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide (PubChem CID 22319642) has the molecular formula C13H11FN4O2S and a molecular weight of 306.32 g/mol. Its IUPAC name is N-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide
PubChem CID22319642
Molecular FormulaC13H11FN4O2S
Molecular Weight306.32 g/mol
Exact Mass306.06
IUPAC NameN-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide
SMILESNc1n[nH]c2ccc(NS(=O)(=O)c3cccc(F)c3)cc12
InChIInChI=1S/C13H11FN4O2S/c14-8-2-1-3-10(6-8)21(19,20)18-9-4-5-12-11(7-9)13(15)17-16-12/h1-7,18H,(H3,15,16,17)
InChIKeyRGWZMNYEINMLSB-UHFFFAOYSA-N
XLogP2.09
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide?
The IUPAC name of N-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide (CID 22319642) is N-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide is Nc1n[nH]c2ccc(NS(=O)(=O)c3cccc(F)c3)cc12.
What is the InChIKey of N-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide?
The InChIKey is RGWZMNYEINMLSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2S/c14-8-2-1-3-10(6-8)21(19,20)18-9-4-5-12-11(7-9)13(15)17-16-12/h1-7,18H,(H3,15,16,17).
What are the key properties of N-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide?
N-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide has a molecular weight of 306.32 g/mol, XLogP of 2.09, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-1H-indazol-5-yl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 22319642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).