2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide

C18H20Cl2N2O3S — CID 30125531

IUPAC2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-12(2)22-26(24,25)15-6-3-13(4-7-15)9-10-21-18(23)16-8-5-14(19)11-17(16)20/h3-8,11-12,22H,9-10H2,1-2H3,(H,21,23)
InChIKeyAAZYLGKZIGKOLP-UHFFFAOYSA-N
MW415.34 g/mol
LogP3.65
Rot. Bonds7

About 2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide

2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide (PubChem CID 30125531) has the molecular formula C18H20Cl2N2O3S and a molecular weight of 415.34 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide
PubChem CID30125531
Molecular FormulaC18H20Cl2N2O3S
Molecular Weight415.34 g/mol
Exact Mass414.06
IUPAC Name2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide
SMILESCC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C18H20Cl2N2O3S/c1-12(2)22-26(24,25)15-6-3-13(4-7-15)9-10-21-18(23)16-8-5-14(19)11-17(16)20/h3-8,11-12,22H,9-10H2,1-2H3,(H,21,23)
InChIKeyAAZYLGKZIGKOLP-UHFFFAOYSA-N
XLogP3.65
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.34
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[3-(4-sulfamoylphenyl)propyl]benzamide
CID 110293779
2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 33340835
propan-2-yl N-[4-[2-[(4-chloro-2-methoxybenzoyl)amino]ethyl]phenyl]sulfonylcarbamate
CID 70623670
2-chloro-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 46532724
N-[2-(cyclohexen-1-yl)ethyl]-2-fluoro-5-(propan-2-ylsulfamoyl)benzamide
CID 55604780
2-(3,4-dimethoxyphenyl)-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide
CID 30125477
2,2-diphenyl-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]acetamide
CID 30125446
4-[[(2,5-dichlorobenzoyl)amino]carbamoyl]-N-propan-2-ylbenzenesulfonamide
CID 24634435
2,4-dichloro-N-(4-methylpentyl)benzamide
CID 3288141
2,4-dichloro-N-[[4-(dimethylsulfamoyl)phenyl]methyl]benzamide
CID 14715683
2-chloro-N-[2-(1-phenylpyrazol-4-yl)ethyl]-5-(propan-2-ylsulfamoyl)benzamide
CID 55505479
2-chloro-4-nitro-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 7916963

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide (CID 30125531) is 2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide is CC(C)NS(=O)(=O)c1ccc(CCNC(=O)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide?
The InChIKey is AAZYLGKZIGKOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O3S/c1-12(2)22-26(24,25)15-6-3-13(4-7-15)9-10-21-18(23)16-8-5-14(19)11-17(16)20/h3-8,11-12,22H,9-10H2,1-2H3,(H,21,23).
What are the key properties of 2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide?
2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide has a molecular weight of 415.34 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[4-(propan-2-ylsulfamoyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 30125531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).