3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide

C21H18Cl2N2O3S — CID 2079648

IUPAC3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-14(15-6-3-2-4-7-15)24-21(26)16-8-5-9-18(12-16)25-29(27,28)20-13-17(22)10-11-19(20)23/h2-14,25H,1H3,(H,24,26)/t14-/m1/s1
InChIKeyPBFISBRKVJRJOS-CQSZACIVSA-N
MW449.36 g/mol
LogP5.29
Rot. Bonds6

About 3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide

3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 2079648) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
PubChem CID2079648
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC Name3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-14(15-6-3-2-4-7-15)24-21(26)16-8-5-9-18(12-16)25-29(27,28)20-13-17(22)10-11-19(20)23/h2-14,25H,1H3,(H,24,26)/t14-/m1/s1
InChIKeyPBFISBRKVJRJOS-CQSZACIVSA-N
XLogP5.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.36
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714
4-chloro-3-[(4-methylphenyl)sulfamoyl]-N-[(1R)-1-phenylethyl]benzamide
CID 1263190
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[(1S)-1-phenylethyl]benzamide
CID 126388612
4-chloro-3-[(3-methylphenyl)sulfamoyl]-N-[2-(1-phenylethylcarbamoyl)phenyl]benzamide
CID 3318602
4-chloro-N-[(1R)-1-(4-ethoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 30390620
4-chloro-3-[(2,5-dimethylphenyl)sulfamoyl]-N-(1-phenylethyl)benzamide
CID 4239611
4-chloro-N-[(R)-(2-methylphenyl)-phenylmethyl]-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 92678457
3-(benzenesulfonamido)-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 9409977
4-chloro-N-[(S)-(2-methylphenyl)-phenylmethyl]-3-(phenylsulfamoyl)benzamide
CID 94016501
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 92676897

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide (CID 2079648) is 3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)c1ccccc1.
What is the InChIKey of 3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is PBFISBRKVJRJOS-CQSZACIVSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c1-14(15-6-3-2-4-7-15)24-21(26)16-8-5-9-18(12-16)25-29(27,28)20-13-17(22)10-11-19(20)23/h2-14,25H,1H3,(H,24,26)/t14-/m1/s1.
What are the key properties of 3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide?
3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 449.36 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)sulfonylamino]-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 2079648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).