sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide

C25H18N5NaO3S2 — CID 138377460

IUPACsodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
SMILESO=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(-c2ccccc2)n(-c2ccccc2)n1.[Na+]
InChIInChI=1S/C25H19N5O3S2.Na/c31-24(27-19-11-13-21(14-12-19)35(32,33)29-25-26-15-16-34-25)22-17-23(18-7-3-1-4-8-18)30(28-22)20-9-5-2-6-10-20;/h1-17H,(H2,26,27,29,31);/q;+1/p-1
InChIKeyLKSHMCDPFVRLDG-UHFFFAOYSA-M
MW523.58 g/mol
LogP2.65
Rot. Bonds7

About sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide

sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide (PubChem CID 138377460) has the molecular formula C25H18N5NaO3S2 and a molecular weight of 523.58 g/mol. Its IUPAC name is sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide.

Molecular Properties

Compound Namesodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
PubChem CID138377460
Molecular FormulaC25H18N5NaO3S2
Molecular Weight523.58 g/mol
Exact Mass523.07
IUPAC Namesodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
SMILESO=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(-c2ccccc2)n(-c2ccccc2)n1.[Na+]
InChIInChI=1S/C25H19N5O3S2.Na/c31-24(27-19-11-13-21(14-12-19)35(32,33)29-25-26-15-16-34-25)22-17-23(18-7-3-1-4-8-18)30(28-22)20-9-5-2-6-10-20;/h1-17H,(H2,26,27,29,31);/q;+1/p-1
InChIKeyLKSHMCDPFVRLDG-UHFFFAOYSA-M
XLogP2.65
TPSA108.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500523.58
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

silver [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 138377461
sodium [4-[[5-(4-methoxyphenyl)-1-phenylpyrazole-3-carbonyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 138377475
5-(4-methylphenyl)-1-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrazole-3-carboxamide
CID 138377449
N-(4-fluorophenyl)-1-phenyl-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067679
[4-[(4-methylbenzoyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 4747642
1-(3-chlorophenyl)-N,5-dipyridin-4-ylpyrazole-3-carboxamide
CID 11632212
[4-[[2-(4-chlorophenoxy)acetyl]amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
CID 4747512
1-(4-chlorophenyl)-N-methyl-5-phenylpyrazole-3-carboxamide
CID 164610011
N-(5-methyl-2-pyridinyl)-1-phenyl-5-pyridin-4-ylpyrazole-3-carboxamide
CID 53067847
N-(4-acetamidophenyl)-1-methyl-5-phenylpyrazole-3-carboxamide
CID 110336197
5-(4-methoxyphenyl)-1-phenyl-N-[4-(prop-2-enylcarbamoylamino)phenyl]pyrazole-3-carboxamide
CID 55824547
methyl 1-(4-sulfamoylphenyl)-5-[4-(1,3-thiazol-2-yl)phenyl]pyrazole-3-carboxylate
CID 22316990

Frequently Asked Questions

What is the IUPAC name of sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
The IUPAC name of sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide (CID 138377460) is sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide.
What is the SMILES notation for sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
The canonical SMILES for sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide is O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1cc(-c2ccccc2)n(-c2ccccc2)n1.[Na+].
What is the InChIKey of sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
The InChIKey is LKSHMCDPFVRLDG-UHFFFAOYSA-M. The full InChI is InChI=1S/C25H19N5O3S2.Na/c31-24(27-19-11-13-21(14-12-19)35(32,33)29-25-26-15-16-34-25)22-17-23(18-7-3-1-4-8-18)30(28-22)20-9-5-2-6-10-20;/h1-17H,(H2,26,27,29,31);/q;+1/p-1.
What are the key properties of sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide has a molecular weight of 523.58 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for sodium [4-[(1,5-diphenylpyrazole-3-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide is sourced from PubChem (CID 138377460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).