5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide

C22H17ClN4O3S — CID 141132955

IUPAC5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide
SMILESNc1ccc(-c2c(S(=O)(=O)c3ccc(Cl)cc3)cnn2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H17ClN4O3S/c23-16-8-12-19(13-9-16)31(29,30)20-14-25-27(21(20)15-6-10-17(24)11-7-15)22(28)26-18-4-2-1-3-5-18/h1-14H,24H2,(H,26,28)
InChIKeyKEJNAALDTWHMSY-UHFFFAOYSA-N
MW452.92 g/mol
LogP4.70
Rot. Bonds4

About 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide

5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide (PubChem CID 141132955) has the molecular formula C22H17ClN4O3S and a molecular weight of 452.92 g/mol. Its IUPAC name is 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide.

Molecular Properties

Compound Name5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide
PubChem CID141132955
Molecular FormulaC22H17ClN4O3S
Molecular Weight452.92 g/mol
Exact Mass452.07
IUPAC Name5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide
SMILESNc1ccc(-c2c(S(=O)(=O)c3ccc(Cl)cc3)cnn2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C22H17ClN4O3S/c23-16-8-12-19(13-9-16)31(29,30)20-14-25-27(21(20)15-6-10-17(24)11-7-15)22(28)26-18-4-2-1-3-5-18/h1-14H,24H2,(H,26,28)
InChIKeyKEJNAALDTWHMSY-UHFFFAOYSA-N
XLogP4.70
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.92
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-(4-chlorophenyl)-N-phenylpyrazolo[3,4-d]pyrimidine-1-carboxamide
CID 59633585
5-(4-chlorophenyl)-4-(4-sulfamoylphenyl)pyrazole-1-carboxylic acid
CID 173202302
[4-(4-chlorophenyl)sulfonylphenyl]carbamic acid
CID 18450250
2-chloro-N'-(4-chlorophenyl)sulfonyl-N-phenylbenzenecarboximidamide
CID 3445259
4-(4-chlorophenyl)-5-(4-chlorophenyl)sulfonylpyrimidin-2-amine
CID 1475305
2-[4-amino-5-(4-propan-2-ylphenyl)sulfonylpyrimidin-2-yl]sulfanyl-N-phenylacetamide
CID 16832924
5-amino-N-[4-[[5-amino-3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]amino]phenyl]-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 139225071
4-[5-(4-chlorophenyl)triazol-1-yl]-N-phenylbenzamide
CID 16652373
4-(4-aminophenyl)sulfonylaniline;3-hydroxy-N-phenylnaphthalene-2-carboxamide
CID 70504923
3-(4-chlorophenyl)-N-phenylimidazo[1,2-a]pyrimidine-2-carboxamide
CID 101412486
1-(4-chlorophenyl)sulfonyl-N-[4-(phenylcarbamoylamino)phenyl]cyclopentane-1-carboxamide
CID 31825356
4-(4-chlorophenyl)sulfonyl-N-pyridin-3-ylbenzamide
CID 1117984

Frequently Asked Questions

What is the IUPAC name of 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide?
The IUPAC name of 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide (CID 141132955) is 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide.
What is the SMILES notation for 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide?
The canonical SMILES for 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide is Nc1ccc(-c2c(S(=O)(=O)c3ccc(Cl)cc3)cnn2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide?
The InChIKey is KEJNAALDTWHMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN4O3S/c23-16-8-12-19(13-9-16)31(29,30)20-14-25-27(21(20)15-6-10-17(24)11-7-15)22(28)26-18-4-2-1-3-5-18/h1-14H,24H2,(H,26,28).
What are the key properties of 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide?
5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide has a molecular weight of 452.92 g/mol, XLogP of 4.70, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminophenyl)-4-(4-chlorophenyl)sulfonyl-N-phenylpyrazole-1-carboxamide is sourced from PubChem (CID 141132955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).