N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide

C21H19ClN2O4S — CID 36925997

IUPACN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O
InChIInChI=1S/C21H19ClN2O4S/c22-16-7-4-8-17(13-16)24-29(27,28)18-10-11-20(25)19(14-18)23-21(26)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14,24-25H,9,12H2,(H,23,26)
InChIKeyGNQOKDFZPPUEOF-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.42
Rot. Bonds7

About N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide (PubChem CID 36925997) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide
PubChem CID36925997
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC NameN-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide
SMILESO=C(CCc1ccccc1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O
InChIInChI=1S/C21H19ClN2O4S/c22-16-7-4-8-17(13-16)24-29(27,28)18-10-11-20(25)19(14-18)23-21(26)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14,24-25H,9,12H2,(H,23,26)
InChIKeyGNQOKDFZPPUEOF-UHFFFAOYSA-N
XLogP4.42
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]benzamide
CID 36925968
N-[3-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyanilino]-3-oxopropyl]furan-2-carboxamide
CID 36925060
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-thiophen-3-ylacetamide
CID 24673045
3-(3-chlorophenyl)-N-(2-hydroxyphenyl)propanamide
CID 47135378
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(2-methyl-1H-indol-3-yl)acetamide
CID 46589603
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3,5-difluorobenzamide
CID 36924914
3-(3-chlorophenyl)-N-phenylpropanamide
CID 1407295
N-(3-chlorophenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24638907
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 36928944
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]-4-hydroxybenzenesulfonamide
CID 26970738
2-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetic acid
CID 43440440
N-(3-chlorophenyl)-3-[4-(propan-2-ylsulfamoyl)phenyl]propanamide
CID 126213924

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide?
The IUPAC name of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide (CID 36925997) is N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide is O=C(CCc1ccccc1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1O.
What is the InChIKey of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide?
The InChIKey is GNQOKDFZPPUEOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c22-16-7-4-8-17(13-16)24-29(27,28)18-10-11-20(25)19(14-18)23-21(26)12-9-15-5-2-1-3-6-15/h1-8,10-11,13-14,24-25H,9,12H2,(H,23,26).
What are the key properties of N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide?
N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide has a molecular weight of 430.91 g/mol, XLogP of 4.42, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)sulfamoyl]-2-hydroxyphenyl]-3-phenylpropanamide is sourced from PubChem (CID 36925997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).