N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide

C23H20ClN3O4S — CID 46589603

IUPACN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O
InChIInChI=1S/C23H20ClN3O4S/c1-14-19(18-7-2-3-8-20(18)25-14)13-23(29)26-21-12-17(9-10-22(21)28)32(30,31)27-16-6-4-5-15(24)11-16/h2-12,25,27-28H,13H2,1H3,(H,26,29)
InChIKeyQBGHBSKUTFKRPE-UHFFFAOYSA-N
MW469.95 g/mol
LogP4.82
Rot. Bonds6

About N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide (PubChem CID 46589603) has the molecular formula C23H20ClN3O4S and a molecular weight of 469.95 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
PubChem CID46589603
Molecular FormulaC23H20ClN3O4S
Molecular Weight469.95 g/mol
Exact Mass469.09
IUPAC NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
SMILESCc1[nH]c2ccccc2c1CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O
InChIInChI=1S/C23H20ClN3O4S/c1-14-19(18-7-2-3-8-20(18)25-14)13-23(29)26-21-12-17(9-10-22(21)28)32(30,31)27-16-6-4-5-15(24)11-16/h2-12,25,27-28H,13H2,1H3,(H,26,29)
InChIKeyQBGHBSKUTFKRPE-UHFFFAOYSA-N
XLogP4.82
TPSA111.29 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.95
LogP ≤ 54.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(3-chlorophenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31856117
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 36928944
N-(2-hydroxyphenyl)-2-(2-methyl-1H-indol-3-yl)acetamide
CID 31984043
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
methyl 5-[[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]carbamoyl]-2-ethyl-4-methyl-1H-pyrrole-3-carboxylate
CID 36927097
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide
CID 36924914
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-6-methoxy-1H-indole-2-carboxamide
CID 38487232
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-(diethylsulfamoyl)-2-(ethylamino)phenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 78852611

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide (CID 46589603) is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide is Cc1[nH]c2ccccc2c1CC(=O)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O.
What is the InChIKey of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
The InChIKey is QBGHBSKUTFKRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O4S/c1-14-19(18-7-2-3-8-20(18)25-14)13-23(29)26-21-12-17(9-10-22(21)28)32(30,31)27-16-6-4-5-15(24)11-16/h2-12,25,27-28H,13H2,1H3,(H,26,29).
What are the key properties of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide?
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide has a molecular weight of 469.95 g/mol, XLogP of 4.82, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide is sourced from PubChem (CID 46589603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).