N-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide

C14H16N4O2S — CID 42283211

IUPACN-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C14H16N4O2S/c1-12-14(21(19,20)17(2)10-6-9-15)11-18(16-12)13-7-4-3-5-8-13/h3-5,7-8,11H,6,10H2,1-2H3
InChIKeyVNDOBBFXWBRYCK-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.71
Rot. Bonds5

About N-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide

N-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 42283211) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID42283211
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC NameN-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)cc1S(=O)(=O)N(C)CCC#N
InChIInChI=1S/C14H16N4O2S/c1-12-14(21(19,20)17(2)10-6-9-15)11-18(16-12)13-7-4-3-5-8-13/h3-5,7-8,11H,6,10H2,1-2H3
InChIKeyVNDOBBFXWBRYCK-UHFFFAOYSA-N
XLogP1.71
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 42283211) is N-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)cc1S(=O)(=O)N(C)CCC#N.
What is the InChIKey of N-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is VNDOBBFXWBRYCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-12-14(21(19,20)17(2)10-6-9-15)11-18(16-12)13-7-4-3-5-8-13/h3-5,7-8,11H,6,10H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide?
N-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 304.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N,3-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 42283211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).