N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide

C11H13N3O2S — CID 56795217

IUPACN-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCN(c1cnn(C)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H13N3O2S/c1-13-9-10(8-12-13)14(2)17(15,16)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyOSOGLPZXZVWVMC-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.25
Rot. Bonds3

About N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide

N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide (PubChem CID 56795217) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
PubChem CID56795217
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC NameN-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide
SMILESCN(c1cnn(C)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C11H13N3O2S/c1-13-9-10(8-12-13)14(2)17(15,16)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyOSOGLPZXZVWVMC-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The IUPAC name of N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide (CID 56795217) is N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide is CN(c1cnn(C)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
The InChIKey is OSOGLPZXZVWVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-13-9-10(8-12-13)14(2)17(15,16)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide?
N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpyrazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 56795217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).