N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide

C12H12N4O2S — CID 62981381

IUPACN-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(c1ccc(C#N)cc1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H12N4O2S/c1-15-9-12(8-14-15)19(17,18)16(2)11-5-3-10(7-13)4-6-11/h3-6,8-9H,1-2H3
InChIKeyYDLKIADUYACWSR-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.12
Rot. Bonds3

About N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide

N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 62981381) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID62981381
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC NameN-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide
SMILESCN(c1ccc(C#N)cc1)S(=O)(=O)c1cnn(C)c1
InChIInChI=1S/C12H12N4O2S/c1-15-9-12(8-14-15)19(17,18)16(2)11-5-3-10(7-13)4-6-11/h3-6,8-9H,1-2H3
InChIKeyYDLKIADUYACWSR-UHFFFAOYSA-N
XLogP1.12
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide (CID 62981381) is N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide is CN(c1ccc(C#N)cc1)S(=O)(=O)c1cnn(C)c1.
What is the InChIKey of N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is YDLKIADUYACWSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c1-15-9-12(8-14-15)19(17,18)16(2)11-5-3-10(7-13)4-6-11/h3-6,8-9H,1-2H3.
What are the key properties of N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide?
N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide has a molecular weight of 276.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 62981381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).