N'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide

C24H21ClN4O3S — CID 2330211

IUPACN'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide
SMILESCc1c(NC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H21ClN4O3S/c1-17-22(24(30)29(28(17)2)20-11-7-4-8-12-20)26-23(18-9-5-3-6-10-18)27-33(31,32)21-15-13-19(25)14-16-21/h3-16H,1-2H3,(H,26,27)
InChIKeyNJUKCOMLVQZISK-UHFFFAOYSA-N
MW480.98 g/mol
LogP4.39
Rot. Bonds5

About N'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide

N'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide (PubChem CID 2330211) has the molecular formula C24H21ClN4O3S and a molecular weight of 480.98 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide
PubChem CID2330211
Molecular FormulaC24H21ClN4O3S
Molecular Weight480.98 g/mol
Exact Mass480.10
IUPAC NameN'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide
SMILESCc1c(NC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H21ClN4O3S/c1-17-22(24(30)29(28(17)2)20-11-7-4-8-12-20)26-23(18-9-5-3-6-10-18)27-33(31,32)21-15-13-19(25)14-16-21/h3-16H,1-2H3,(H,26,27)
InChIKeyNJUKCOMLVQZISK-UHFFFAOYSA-N
XLogP4.39
TPSA85.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.98
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-(4-chlorophenyl)sulfonyl-N-(2-methylphenyl)benzenecarboximidamide
CID 2331143
1-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)piperidine-4-carboxamide
CID 2321919
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N'-(benzenesulfonyl)-N-(4-chlorophenyl)benzenecarboximidamide
CID 6387422
3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 789711
(Z)-4-(4-chlorophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-4-oxobut-2-enoate
CID 7434966
2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 2229709
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-fluoro-3-methylbenzenesulfonamide
CID 2133624
3-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 16574621
N'-(4-chlorophenyl)sulfonyl-N-(3-hydroxyphenyl)benzenecarboximidamide
CID 4543922
N-[4-chloro-3-[(4-chlorophenyl)sulfamoyl]phenyl]-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide
CID 3368355
2-(N-(4-chlorophenyl)sulfonyl-3-methylanilino)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)acetamide
CID 126415130

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide (CID 2330211) is N'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide is Cc1c(NC(=NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide?
The InChIKey is NJUKCOMLVQZISK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O3S/c1-17-22(24(30)29(28(17)2)20-11-7-4-8-12-20)26-23(18-9-5-3-6-10-18)27-33(31,32)21-15-13-19(25)14-16-21/h3-16H,1-2H3,(H,26,27).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide?
N'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide has a molecular weight of 480.98 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzenecarboximidamide is sourced from PubChem (CID 2330211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).