N,5-dimethyl-1-phenylpyrazole-4-sulfonamide

C11H13N3O2S — CID 164889283

IUPACN,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCNS(=O)(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C11H13N3O2S/c1-9-11(17(15,16)12-2)8-13-14(9)10-6-4-3-5-7-10/h3-8,12H,1-2H3
InChIKeyGGFXNMABROEKLJ-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.09
Rot. Bonds3

About N,5-dimethyl-1-phenylpyrazole-4-sulfonamide

N,5-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 164889283) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N,5-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,5-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID164889283
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN,5-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCNS(=O)(=O)c1cnn(-c2ccccc2)c1C
InChIInChI=1S/C11H13N3O2S/c1-9-11(17(15,16)12-2)8-13-14(9)10-6-4-3-5-7-10/h3-8,12H,1-2H3
InChIKeyGGFXNMABROEKLJ-UHFFFAOYSA-N
XLogP1.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N,5-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 164889283) is N,5-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N,5-dimethyl-1-phenylpyrazole-4-sulfonamide is CNS(=O)(=O)c1cnn(-c2ccccc2)c1C.
What is the InChIKey of N,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is GGFXNMABROEKLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-9-11(17(15,16)12-2)8-13-14(9)10-6-4-3-5-7-10/h3-8,12H,1-2H3.
What are the key properties of N,5-dimethyl-1-phenylpyrazole-4-sulfonamide?
N,5-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 164889283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).