(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide

C21H17Cl3N2O3S — CID 41374437

IUPAC(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide
SMILESO=C(Nc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl3N2O3S/c22-15-9-11-16(12-10-15)30(28,29)26-19(13-14-5-2-1-3-6-14)21(27)25-20-17(23)7-4-8-18(20)24/h1-12,19,26H,13H2,(H,25,27)/t19-/m1/s1
InChIKeyDLVQVAXITJYIAR-LJQANCHMSA-N
MW483.80 g/mol
LogP5.18
Rot. Bonds7

About (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide

(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide (PubChem CID 41374437) has the molecular formula C21H17Cl3N2O3S and a molecular weight of 483.80 g/mol. Its IUPAC name is (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide
PubChem CID41374437
Molecular FormulaC21H17Cl3N2O3S
Molecular Weight483.80 g/mol
Exact Mass482.00
IUPAC Name(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide
SMILESO=C(Nc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C21H17Cl3N2O3S/c22-15-9-11-16(12-10-15)30(28,29)26-19(13-14-5-2-1-3-6-14)21(27)25-20-17(23)7-4-8-18(20)24/h1-12,19,26H,13H2,(H,25,27)/t19-/m1/s1
InChIKeyDLVQVAXITJYIAR-LJQANCHMSA-N
XLogP5.18
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.80
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-ethyl-6-methylphenyl)-3-phenylpropanamide
CID 41374333
2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2,4,6-trimethylphenyl)propanamide
CID 3877256
(2R)-N-(4-acetamidophenyl)-2-[(4-chlorophenyl)sulfonylamino]-3-phenylpropanamide
CID 40931965
(2R)-N-(2,6-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538422
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(4-sulfamoylphenyl)propanamide
CID 41374475
(2R)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28540829
2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-(2-phenylphenyl)propanamide
CID 42697365
2-[(4-chlorophenyl)sulfonylamino]-N-(4-ethylphenyl)-3-phenylpropanamide
CID 5108228
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-ethyl-3-phenylpropanamide
CID 41374224
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylsulfanylphenyl)-3-phenylpropanamide
CID 41382148
(2R)-2-[(4-chlorophenyl)sulfonylamino]-3-phenyl-N-propylpropanamide
CID 7030623
2-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)-3-phenylpropanamide
CID 74170909

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide (CID 41374437) is (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide is O=C(Nc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide?
The InChIKey is DLVQVAXITJYIAR-LJQANCHMSA-N. The full InChI is InChI=1S/C21H17Cl3N2O3S/c22-15-9-11-16(12-10-15)30(28,29)26-19(13-14-5-2-1-3-6-14)21(27)25-20-17(23)7-4-8-18(20)24/h1-12,19,26H,13H2,(H,25,27)/t19-/m1/s1.
What are the key properties of (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide?
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide has a molecular weight of 483.80 g/mol, XLogP of 5.18, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,6-dichlorophenyl)-3-phenylpropanamide is sourced from PubChem (CID 41374437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).