4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide

C24H22Cl2N2O5S — CID 59073721

IUPAC4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide
SMILESCC[C@@H](C=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O5S/c1-2-20(15-29)28-24(30)17-5-3-16(4-6-17)14-27-34(31,32)23-9-7-21(8-10-23)33-22-12-18(25)11-19(26)13-22/h3-13,15,20,27H,2,14H2,1H3,(H,28,30)/t20-/m0/s1
InChIKeyFRGZHVQSXLUPFT-FQEVSTJZSA-N
MW521.42 g/mol
LogP4.97
Rot. Bonds10

About 4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide

4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide (PubChem CID 59073721) has the molecular formula C24H22Cl2N2O5S and a molecular weight of 521.42 g/mol. Its IUPAC name is 4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide
PubChem CID59073721
Molecular FormulaC24H22Cl2N2O5S
Molecular Weight521.42 g/mol
Exact Mass520.06
IUPAC Name4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide
SMILESCC[C@@H](C=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)cc1
InChIInChI=1S/C24H22Cl2N2O5S/c1-2-20(15-29)28-24(30)17-5-3-16(4-6-17)14-27-34(31,32)23-9-7-21(8-10-23)33-22-12-18(25)11-19(26)13-22/h3-13,15,20,27H,2,14H2,1H3,(H,28,30)/t20-/m0/s1
InChIKeyFRGZHVQSXLUPFT-FQEVSTJZSA-N
XLogP4.97
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.42
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide with MolForge

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Related Compounds

4-[[[3-[(2-chlorophenyl)methyl]phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide
CID 59073812
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[1-(4-ethoxyphenyl)ethyl]benzamide
CID 24575206
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-butan-2-ylbenzamide
CID 25044694
4-acetyl-N-[(3,5-dichlorophenyl)methyl]benzenesulfonamide
CID 5013211
N-[(1R)-2-hydroxy-1-phenylethyl]-4-[[(4-methoxyphenyl)sulfonylamino]methyl]benzamide
CID 51808937
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
N-butan-2-yl-4-[(3-methylphenyl)methylsulfamoyl]benzamide
CID 109059006
4-[(4-methoxyphenyl)methylsulfamoyl]-N-(3-methylbutyl)benzamide
CID 109060824
N-hydroxy-4-[[(4-propylphenyl)sulfonylamino]methyl]benzamide
CID 87748545
4-[(4-methoxyphenyl)methylsulfamoyl]benzamide
CID 27186990
N-[(4-chlorophenyl)methyl]-4-[[(4-fluorophenyl)sulfonylamino]methyl]benzamide
CID 5073710
4-[[(4-acetylphenyl)sulfonylamino]methyl]-N-[(2S)-1-aminopropan-2-yl]benzamide;hydrochloride
CID 120508926

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide?
The IUPAC name of 4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide (CID 59073721) is 4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide.
What is the SMILES notation for 4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide?
The canonical SMILES for 4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide is CC[C@@H](C=O)NC(=O)c1ccc(CNS(=O)(=O)c2ccc(Oc3cc(Cl)cc(Cl)c3)cc2)cc1.
What is the InChIKey of 4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide?
The InChIKey is FRGZHVQSXLUPFT-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H22Cl2N2O5S/c1-2-20(15-29)28-24(30)17-5-3-16(4-6-17)14-27-34(31,32)23-9-7-21(8-10-23)33-22-12-18(25)11-19(26)13-22/h3-13,15,20,27H,2,14H2,1H3,(H,28,30)/t20-/m0/s1.
What are the key properties of 4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide?
4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide has a molecular weight of 521.42 g/mol, XLogP of 4.97, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-(3,5-dichlorophenoxy)phenyl]sulfonylamino]methyl]-N-[(2S)-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 59073721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).