N-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide

C13H11FN6O2S — CID 155193550

IUPACN-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(CF)c2)c2[nH]nc(C#N)c12
InChIInChI=1S/C13H11FN6O2S/c1-8-2-3-10(13-12(8)11(4-15)17-18-13)19-23(21,22)9-5-16-20(6-9)7-14/h2-3,5-6,19H,7H2,1H3,(H,17,18)
InChIKeySRGJFDKSHAAGQZ-UHFFFAOYSA-N
MW334.34 g/mol
LogP1.67
Rot. Bonds4

About N-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide

N-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide (PubChem CID 155193550) has the molecular formula C13H11FN6O2S and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide
PubChem CID155193550
Molecular FormulaC13H11FN6O2S
Molecular Weight334.34 g/mol
Exact Mass334.06
IUPAC NameN-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cnn(CF)c2)c2[nH]nc(C#N)c12
InChIInChI=1S/C13H11FN6O2S/c1-8-2-3-10(13-12(8)11(4-15)17-18-13)19-23(21,22)9-5-16-20(6-9)7-14/h2-3,5-6,19H,7H2,1H3,(H,17,18)
InChIKeySRGJFDKSHAAGQZ-UHFFFAOYSA-N
XLogP1.67
TPSA116.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide?
The IUPAC name of N-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide (CID 155193550) is N-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for N-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide?
The canonical SMILES for N-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide is Cc1ccc(NS(=O)(=O)c2cnn(CF)c2)c2[nH]nc(C#N)c12.
What is the InChIKey of N-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide?
The InChIKey is SRGJFDKSHAAGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN6O2S/c1-8-2-3-10(13-12(8)11(4-15)17-18-13)19-23(21,22)9-5-16-20(6-9)7-14/h2-3,5-6,19H,7H2,1H3,(H,17,18).
What are the key properties of N-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide?
N-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide has a molecular weight of 334.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-methyl-1H-indazol-7-yl)-1-(fluoromethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 155193550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).