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N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

C19H21N3O2S — CID 50792315

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(-c3cc(C)[nH]n3)ccc2C)c1
InChIInChI=1S/C19H21N3O2S/c1-12-7-13(2)9-17(8-12)22-25(23,24)19-11-16(6-5-14(19)3)18-10-15(4)20-21-18/h5-11,22H,1-4H3,(H,20,21)
InChIKeyQFLXCKKJOZRUHQ-UHFFFAOYSA-N
MW355.46 g/mol
LogP4.11
Rot. Bonds4

About N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide

N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (PubChem CID 50792315) has the molecular formula C19H21N3O2S and a molecular weight of 355.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
PubChem CID50792315
Molecular FormulaC19H21N3O2S
Molecular Weight355.46 g/mol
Exact Mass355.14
IUPAC NameN-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(C)cc(NS(=O)(=O)c2cc(-c3cc(C)[nH]n3)ccc2C)c1
InChIInChI=1S/C19H21N3O2S/c1-12-7-13(2)9-17(8-12)22-25(23,24)19-11-16(6-5-14(19)3)18-10-15(4)20-21-18/h5-11,22H,1-4H3,(H,20,21)
InChIKeyQFLXCKKJOZRUHQ-UHFFFAOYSA-N
XLogP4.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide (CID 50792315) is N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is Cc1cc(C)cc(NS(=O)(=O)c2cc(-c3cc(C)[nH]n3)ccc2C)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
The InChIKey is QFLXCKKJOZRUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2S/c1-12-7-13(2)9-17(8-12)22-25(23,24)19-11-16(6-5-14(19)3)18-10-15(4)20-21-18/h5-11,22H,1-4H3,(H,20,21).
What are the key properties of N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide?
N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide has a molecular weight of 355.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-methyl-5-(5-methyl-1H-pyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 50792315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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