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

C11H13N3O2S — CID 47439855

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

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

N,N-dimethyl-1-phenylpyrazole-4-sulfonamide (PubChem CID 47439855) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N,N-dimethyl-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-phenylpyrazole-4-sulfonamide
PubChem CID47439855
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN,N-dimethyl-1-phenylpyrazole-4-sulfonamide
SMILESCN(C)S(=O)(=O)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C11H13N3O2S/c1-13(2)17(15,16)11-8-12-14(9-11)10-6-4-3-5-7-10/h3-9H,1-2H3
InChIKeyFJACOKICKSAHFD-UHFFFAOYSA-N
XLogP1.12
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of N,N-dimethyl-1-phenylpyrazole-4-sulfonamide (CID 47439855) is N,N-dimethyl-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-phenylpyrazole-4-sulfonamide is CN(C)S(=O)(=O)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N,N-dimethyl-1-phenylpyrazole-4-sulfonamide?
The InChIKey is FJACOKICKSAHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-13(2)17(15,16)11-8-12-14(9-11)10-6-4-3-5-7-10/h3-9H,1-2H3.
What are the key properties of N,N-dimethyl-1-phenylpyrazole-4-sulfonamide?
N,N-dimethyl-1-phenylpyrazole-4-sulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 47439855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).