3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide

C24H19N3O6S — CID 4854654

IUPAC3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)n3cc(C(=O)c4ccccc4O)cn3)c2)cc1
InChIInChI=1S/C24H19N3O6S/c1-33-19-11-9-18(10-12-19)26-34(31,32)20-6-4-5-16(13-20)24(30)27-15-17(14-25-27)23(29)21-7-2-3-8-22(21)28/h2-15,26,28H,1H3
InChIKeyBJASAHXITUZRBA-UHFFFAOYSA-N
MW477.50 g/mol
LogP3.32
Rot. Bonds7

About 3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide

3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide (PubChem CID 4854654) has the molecular formula C24H19N3O6S and a molecular weight of 477.50 g/mol. Its IUPAC name is 3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
PubChem CID4854654
Molecular FormulaC24H19N3O6S
Molecular Weight477.50 g/mol
Exact Mass477.10
IUPAC Name3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)n3cc(C(=O)c4ccccc4O)cn3)c2)cc1
InChIInChI=1S/C24H19N3O6S/c1-33-19-11-9-18(10-12-19)26-34(31,32)20-6-4-5-16(13-20)24(30)27-15-17(14-25-27)23(29)21-7-2-3-8-22(21)28/h2-15,26,28H,1H3
InChIKeyBJASAHXITUZRBA-UHFFFAOYSA-N
XLogP3.32
TPSA127.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 7908038
3-[[4-[(4-methoxyphenyl)sulfamoyl]phenyl]sulfamoyl]benzoic acid
CID 2414183
N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
4-[4-(5-chloro-2-hydroxybenzoyl)pyrazol-1-yl]-N-(4-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 4595009
N-(4-methoxyphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 27662148
3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 27678550
3-[[(2-chloropyridine-4-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46638038
4-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 6611513
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
3-[[(3,5-difluorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652429

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The IUPAC name of 3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide (CID 4854654) is 3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for 3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)n3cc(C(=O)c4ccccc4O)cn3)c2)cc1.
What is the InChIKey of 3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide?
The InChIKey is BJASAHXITUZRBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N3O6S/c1-33-19-11-9-18(10-12-19)26-34(31,32)20-6-4-5-16(13-20)24(30)27-15-17(14-25-27)23(29)21-7-2-3-8-22(21)28/h2-15,26,28H,1H3.
What are the key properties of 3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide?
3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide has a molecular weight of 477.50 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxybenzoyl)pyrazole-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 4854654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).