4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole

C12H16N4O2S — CID 110664784

IUPAC4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole
SMILESCN(C)S(=O)(=O)Nc1cnn(C)c1-c1ccccc1
InChIInChI=1S/C12H16N4O2S/c1-15(2)19(17,18)14-11-9-13-16(3)12(11)10-7-5-4-6-8-10/h4-9,14H,1-3H3
InChIKeyJEKRHEFFPPNPOD-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.31
Rot. Bonds4

About 4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole

4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole (PubChem CID 110664784) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole.

Molecular Properties

Compound Name4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole
PubChem CID110664784
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole
SMILESCN(C)S(=O)(=O)Nc1cnn(C)c1-c1ccccc1
InChIInChI=1S/C12H16N4O2S/c1-15(2)19(17,18)14-11-9-13-16(3)12(11)10-7-5-4-6-8-10/h4-9,14H,1-3H3
InChIKeyJEKRHEFFPPNPOD-UHFFFAOYSA-N
XLogP1.31
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole?
The IUPAC name of 4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole (CID 110664784) is 4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole.
What is the SMILES notation for 4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole?
The canonical SMILES for 4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole is CN(C)S(=O)(=O)Nc1cnn(C)c1-c1ccccc1.
What is the InChIKey of 4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole?
The InChIKey is JEKRHEFFPPNPOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-15(2)19(17,18)14-11-9-13-16(3)12(11)10-7-5-4-6-8-10/h4-9,14H,1-3H3.
What are the key properties of 4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole?
4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole has a molecular weight of 280.35 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoylamino)-1-methyl-5-phenylpyrazole is sourced from PubChem (CID 110664784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).