N,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide

C12H15N3O3S — CID 118538504

IUPACN,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cc(=O)n(C)[nH]2)cc1
InChIInChI=1S/C12H15N3O3S/c1-14(2)19(17,18)10-6-4-9(5-7-10)11-8-12(16)15(3)13-11/h4-8,13H,1-3H3
InChIKeyZFFWATXZDGMECJ-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.63
Rot. Bonds3

About N,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide

N,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide (PubChem CID 118538504) has the molecular formula C12H15N3O3S and a molecular weight of 281.34 g/mol. Its IUPAC name is N,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide
PubChem CID118538504
Molecular FormulaC12H15N3O3S
Molecular Weight281.34 g/mol
Exact Mass281.08
IUPAC NameN,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(-c2cc(=O)n(C)[nH]2)cc1
InChIInChI=1S/C12H15N3O3S/c1-14(2)19(17,18)10-6-4-9(5-7-10)11-8-12(16)15(3)13-11/h4-8,13H,1-3H3
InChIKeyZFFWATXZDGMECJ-UHFFFAOYSA-N
XLogP0.63
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide (CID 118538504) is N,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(-c2cc(=O)n(C)[nH]2)cc1.
What is the InChIKey of N,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide?
The InChIKey is ZFFWATXZDGMECJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3S/c1-14(2)19(17,18)10-6-4-9(5-7-10)11-8-12(16)15(3)13-11/h4-8,13H,1-3H3.
What are the key properties of N,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide?
N,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide has a molecular weight of 281.34 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 118538504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).