6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide

C22H26Cl2N4O3S — CID 46700955

IUPAC6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCc1[nH]n(-c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)c(=O)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H26Cl2N4O3S/c1-13(2)28(14(3)4)32(30,31)18-8-9-21(25-12-18)27-22(29)19(15(5)26-27)10-16-6-7-17(23)11-20(16)24/h6-9,11-14,26H,10H2,1-5H3
InChIKeyMCMYILAIXCADGI-UHFFFAOYSA-N
MW497.45 g/mol
LogP4.57
Rot. Bonds7

About 6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide

6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide (PubChem CID 46700955) has the molecular formula C22H26Cl2N4O3S and a molecular weight of 497.45 g/mol. Its IUPAC name is 6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
PubChem CID46700955
Molecular FormulaC22H26Cl2N4O3S
Molecular Weight497.45 g/mol
Exact Mass496.11
IUPAC Name6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide
SMILESCc1[nH]n(-c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)c(=O)c1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C22H26Cl2N4O3S/c1-13(2)28(14(3)4)32(30,31)18-8-9-21(25-12-18)27-22(29)19(15(5)26-27)10-16-6-7-17(23)11-20(16)24/h6-9,11-14,26H,10H2,1-5H3
InChIKeyMCMYILAIXCADGI-UHFFFAOYSA-N
XLogP4.57
TPSA88.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.45
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-(5-piperidin-1-ylsulfonyl-2-pyridinyl)-1H-pyrazol-3-one
CID 46833476
4-[(2-chlorophenyl)methyl]-5-methyl-2-phenyl-1H-pyrazol-3-one
CID 134909987
2-(2,4-dichlorophenyl)-4-(2-hydroxyethyl)-5-methyl-1H-pyrazol-3-one
CID 134938574
3-[[5-ethyl-2-[5-[ethyl(phenyl)sulfamoyl]-2-pyridinyl]-3-oxo-1H-pyrazol-4-yl]methyl]-2-methylbenzoic acid
CID 67462663
6-(diethylamino)-N,N-di(propan-2-yl)pyridine-3-sulfonamide
CID 5267853
1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122052361
N-[(2,4-dichlorophenyl)methyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 3597205
6-amino-3,5-bis[(2,4-dichlorophenyl)methyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 154172367
2-[(5-methyl-3-oxo-2-pyridin-2-yl-1H-pyrazol-4-yl)methyl]benzonitrile
CID 46833770
6-[(2,4-dichlorophenyl)methyl]-2-(difluoromethyl)-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 177205981
1-[(2,4-dichlorophenyl)methyl]-2-methylimidazole-4-sulfonamide
CID 81340078
2-[4-chloro-5-(2,4-dichlorophenyl)imidazol-1-yl]-5-methylsulfonylpyridine
CID 57336160

Frequently Asked Questions

What is the IUPAC name of 6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The IUPAC name of 6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide (CID 46700955) is 6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide.
What is the SMILES notation for 6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The canonical SMILES for 6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide is Cc1[nH]n(-c2ccc(S(=O)(=O)N(C(C)C)C(C)C)cn2)c(=O)c1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
The InChIKey is MCMYILAIXCADGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N4O3S/c1-13(2)28(14(3)4)32(30,31)18-8-9-21(25-12-18)27-22(29)19(15(5)26-27)10-16-6-7-17(23)11-20(16)24/h6-9,11-14,26H,10H2,1-5H3.
What are the key properties of 6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide?
6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide has a molecular weight of 497.45 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(2,4-dichlorophenyl)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]-N,N-di(propan-2-yl)pyridine-3-sulfonamide is sourced from PubChem (CID 46700955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).