4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide

C25H27N3O3S — CID 142750205

IUPAC4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide
SMILESCc1ccc2ccccc2c1NS(=O)(=O)c1ccc(-n2c(=O)c(C(C)C)c(C)n2C)cc1
InChIInChI=1S/C25H27N3O3S/c1-16(2)23-18(4)27(5)28(25(23)29)20-12-14-21(15-13-20)32(30,31)26-24-17(3)10-11-19-8-6-7-9-22(19)24/h6-16,26H,1-5H3
InChIKeyQCFVSMYWSNOAFO-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.87
Rot. Bonds5

About 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide

4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide (PubChem CID 142750205) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide
PubChem CID142750205
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC Name4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide
SMILESCc1ccc2ccccc2c1NS(=O)(=O)c1ccc(-n2c(=O)c(C(C)C)c(C)n2C)cc1
InChIInChI=1S/C25H27N3O3S/c1-16(2)23-18(4)27(5)28(25(23)29)20-12-14-21(15-13-20)32(30,31)26-24-17(3)10-11-19-8-6-7-9-22(19)24/h6-16,26H,1-5H3
InChIKeyQCFVSMYWSNOAFO-UHFFFAOYSA-N
XLogP4.87
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 142750208
N-(3-chlorophenyl)-4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)benzenesulfonamide
CID 142750342
4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[2-(2-fluorophenoxy)ethyl]benzenesulfonamide
CID 142750252
N-[(4-bromophenyl)methyl]-4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)benzenesulfonamide
CID 142750302
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(3-methylbutyl)benzenesulfonamide
CID 39769497
methyl (2R)-2-[[4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)phenyl]sulfonylamino]-2-phenylacetate
CID 42556613
4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 142750349
methyl 5-[[4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)phenyl]sulfonylamino]-1-benzothiophene-2-carboxylate
CID 142750332
4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methoxy-4-nitrophenyl)benzenesulfonamide
CID 142750223
N-(2-methylnaphthalen-1-yl)methanesulfonamide
CID 1482866
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-9,10-dioxoanthracene-2-sulfonamide
CID 3636957
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 2133624

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide?
The IUPAC name of 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide (CID 142750205) is 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide is Cc1ccc2ccccc2c1NS(=O)(=O)c1ccc(-n2c(=O)c(C(C)C)c(C)n2C)cc1.
What is the InChIKey of 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide?
The InChIKey is QCFVSMYWSNOAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-16(2)23-18(4)27(5)28(25(23)29)20-12-14-21(15-13-20)32(30,31)26-24-17(3)10-11-19-8-6-7-9-22(19)24/h6-16,26H,1-5H3.
What are the key properties of 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide?
4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide has a molecular weight of 449.58 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethyl-5-oxo-4-propan-2-ylpyrazol-1-yl)-N-(2-methylnaphthalen-1-yl)benzenesulfonamide is sourced from PubChem (CID 142750205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).