N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C20H21ClN4O4S — CID 36928944

IUPACN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O
InChIInChI=1S/C20H21ClN4O4S/c1-12-17(13(2)25(3)23-12)11-20(27)22-18-10-16(7-8-19(18)26)30(28,29)24-15-6-4-5-14(21)9-15/h4-10,24,26H,11H2,1-3H3,(H,22,27)
InChIKeyPOLUIUAIXVQVAR-UHFFFAOYSA-N
MW448.93 g/mol
LogP3.38
Rot. Bonds6

About N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 36928944) has the molecular formula C20H21ClN4O4S and a molecular weight of 448.93 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID36928944
Molecular FormulaC20H21ClN4O4S
Molecular Weight448.93 g/mol
Exact Mass448.10
IUPAC NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O
InChIInChI=1S/C20H21ClN4O4S/c1-12-17(13(2)25(3)23-12)11-20(27)22-18-10-16(7-8-19(18)26)30(28,29)24-15-6-4-5-14(21)9-15/h4-10,24,26H,11H2,1-3H3,(H,22,27)
InChIKeyPOLUIUAIXVQVAR-UHFFFAOYSA-N
XLogP3.38
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.93
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 46589603
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-thiophen-3-ylacetamide
CID 24673045
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide
CID 36925997
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 36925968
N-[3-(benzenesulfonamido)-4-methylphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 55705641
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide
CID 36924914
N-(2-hydroxy-5-pyrrolidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 55474079
N-(5-chloro-2-hydroxyphenyl)-2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]acetamide
CID 56581409
N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide
CID 36925060
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]-4-hydroxybenzenesulfonamide
CID 26970738
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2,4-dimethylbenzenesulfonamide
CID 25391427
3-[[2-(1,3,5-trimethylpyrazol-4-yl)acetyl]amino]benzoic acid
CID 43350860

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 36928944) is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O.
What is the InChIKey of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is POLUIUAIXVQVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O4S/c1-12-17(13(2)25(3)23-12)11-20(27)22-18-10-16(7-8-19(18)26)30(28,29)24-15-6-4-5-14(21)9-15/h4-10,24,26H,11H2,1-3H3,(H,22,27).
What are the key properties of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 448.93 g/mol, XLogP of 3.38, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 36928944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).