N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide

C21H24N4O6S2 — CID 4235954

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H24N4O6S2/c1-16-20(21(26)25(23(16)2)17-6-4-3-5-7-17)22-32(27,28)18-8-10-19(11-9-18)33(29,30)24-12-14-31-15-13-24/h3-11,22H,12-15H2,1-2H3
InChIKeyPFNXKNPXPGTLDD-UHFFFAOYSA-N
MW492.58 g/mol
LogP1.31
Rot. Bonds6

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide (PubChem CID 4235954) has the molecular formula C21H24N4O6S2 and a molecular weight of 492.58 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
PubChem CID4235954
Molecular FormulaC21H24N4O6S2
Molecular Weight492.58 g/mol
Exact Mass492.11
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide
SMILESCc1c(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H24N4O6S2/c1-16-20(21(26)25(23(16)2)17-6-4-3-5-7-17)22-32(27,28)18-8-10-19(11-9-18)33(29,30)24-12-14-31-15-13-24/h3-11,22H,12-15H2,1-2H3
InChIKeyPFNXKNPXPGTLDD-UHFFFAOYSA-N
XLogP1.31
TPSA119.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-phenylbenzamide
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4-morpholin-4-ylsulfonyl-N-(1-phenylpyrazol-3-yl)benzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide (CID 4235954) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide is Cc1c(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
The InChIKey is PFNXKNPXPGTLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O6S2/c1-16-20(21(26)25(23(16)2)17-6-4-3-5-7-17)22-32(27,28)18-8-10-19(11-9-18)33(29,30)24-12-14-31-15-13-24/h3-11,22H,12-15H2,1-2H3.
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide has a molecular weight of 492.58 g/mol, XLogP of 1.31, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-morpholin-4-ylsulfonylbenzenesulfonamide is sourced from PubChem (CID 4235954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).