N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide

C11H10N4O2S — CID 62061919

IUPACN-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccccc2C#N)cn1
InChIInChI=1S/C11H10N4O2S/c1-15-8-10(7-13-15)18(16,17)14-11-5-3-2-4-9(11)6-12/h2-5,7-8,14H,1H3
InChIKeyUORRRKMILXVWRN-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.09
Rot. Bonds3

About N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide

N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide (PubChem CID 62061919) has the molecular formula C11H10N4O2S and a molecular weight of 262.29 g/mol. Its IUPAC name is N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide
PubChem CID62061919
Molecular FormulaC11H10N4O2S
Molecular Weight262.29 g/mol
Exact Mass262.05
IUPAC NameN-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(=O)(=O)Nc2ccccc2C#N)cn1
InChIInChI=1S/C11H10N4O2S/c1-15-8-10(7-13-15)18(16,17)14-11-5-3-2-4-9(11)6-12/h2-5,7-8,14H,1H3
InChIKeyUORRRKMILXVWRN-UHFFFAOYSA-N
XLogP1.09
TPSA87.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide (CID 62061919) is N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(=O)(=O)Nc2ccccc2C#N)cn1.
What is the InChIKey of N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide?
The InChIKey is UORRRKMILXVWRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2S/c1-15-8-10(7-13-15)18(16,17)14-11-5-3-2-4-9(11)6-12/h2-5,7-8,14H,1H3.
What are the key properties of N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide?
N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide has a molecular weight of 262.29 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 62061919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).