N-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide

C12H15N3O4S — CID 118538324

IUPACN-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccc(-c2[nH][nH]c(=O)c2C)cc1
InChIInChI=1S/C12H15N3O4S/c1-8-11(13-14-12(8)16)9-4-6-10(7-5-9)20(17,18)15(2)19-3/h4-7H,1-3H3,(H2,13,14,16)
InChIKeyPSBSDODMAVQSPM-UHFFFAOYSA-N
MW297.34 g/mol
LogP0.86
Rot. Bonds4

About N-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide

N-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide (PubChem CID 118538324) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is N-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
PubChem CID118538324
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC NameN-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
SMILESCON(C)S(=O)(=O)c1ccc(-c2[nH][nH]c(=O)c2C)cc1
InChIInChI=1S/C12H15N3O4S/c1-8-11(13-14-12(8)16)9-4-6-10(7-5-9)20(17,18)15(2)19-3/h4-7H,1-3H3,(H2,13,14,16)
InChIKeyPSBSDODMAVQSPM-UHFFFAOYSA-N
XLogP0.86
TPSA95.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(4-(Aminosulphonyl)phenyl)-4-(4-fluorophenyl)-3-hydroxypyrazole
CID 11232863
4-(5-Oxo-1,2-dihydropyrazol-3-yl)benzenesulfonic acid
CID 87142777
N-methyl-4-(5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
CID 91356924
4-(4-formyl-2-methyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 118537918
N-(2-methoxyethyl)-N-methyl-4-(2-methyl-3-oxo-1H-pyrazol-5-yl)benzenesulfonamide
CID 118538401
3-(4-Methanesulfonylphenyl)-1,4-dimethyl-1H-pyrazol-5-ol
CID 118538412
4-(5-Hydroxy-4-methyl-1H-pyrazol-3-yl)-N,N-dimethylbenzene-1-sulfonamide
CID 118538456
4-(5-Hydroxy-1-methyl-1H-pyrazol-3-yl)-N,N-dimethylbenzene-1-sulfonamide
CID 118538504
4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-(2-methoxyethyl)-N-methylbenzenesulfonamide
CID 118538509
4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N,N-dimethylbenzenesulfonamide
CID 118538532
N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide
CID 129057147
4-(2,4-dimethyl-3-oxo-1H-pyrazol-5-yl)-N-methylbenzenesulfonamide
CID 129057200

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide (CID 118538324) is N-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide is CON(C)S(=O)(=O)c1ccc(-c2[nH][nH]c(=O)c2C)cc1.
What is the InChIKey of N-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
The InChIKey is PSBSDODMAVQSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-8-11(13-14-12(8)16)9-4-6-10(7-5-9)20(17,18)15(2)19-3/h4-7H,1-3H3,(H2,13,14,16).
What are the key properties of N-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide?
N-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-methyl-4-(4-methyl-5-oxo-1,2-dihydropyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 118538324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).