(2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide

C16H15ClN2O5S — CID 8571974

IUPAC(2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide
SMILESCc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1
InChIInChI=1S/C16H15ClN2O5S/c1-10-3-8-15(14(17)9-10)18-16(20)11(2)25(23,24)13-6-4-12(5-7-13)19(21)22/h3-9,11H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyCDUZPVZAUDJJNT-LLVKDONJSA-N
MW382.83 g/mol
LogP3.36
Rot. Bonds5

About (2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide

(2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide (PubChem CID 8571974) has the molecular formula C16H15ClN2O5S and a molecular weight of 382.83 g/mol. Its IUPAC name is (2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide
PubChem CID8571974
Molecular FormulaC16H15ClN2O5S
Molecular Weight382.83 g/mol
Exact Mass382.04
IUPAC Name(2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide
SMILESCc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1
InChIInChI=1S/C16H15ClN2O5S/c1-10-3-8-15(14(17)9-10)18-16(20)11(2)25(23,24)13-6-4-12(5-7-13)19(21)22/h3-9,11H,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyCDUZPVZAUDJJNT-LLVKDONJSA-N
XLogP3.36
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.83
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-4-nitrophenyl)-2-methylpropanamide
CID 3512908
N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)acetamide
CID 26264303
(2S)-N-(2-chloro-4-nitrophenyl)-2-(2,4-dimethylphenyl)sulfanylpropanamide
CID 9171124
2-amino-N-(2-chloro-4-nitrophenyl)propanamide
CID 43218156
N-(2-chloro-4-nitrophenyl)-2-(methylamino)propanamide
CID 60638642
(2S)-2-chloro-N-(2-chloro-4-methylphenyl)propanamide
CID 28881797
(2R)-N-(4-tert-butylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide
CID 8569521
(2S)-2-(4-nitrophenyl)sulfonylpropanoate
CID 2463157
N-(2-chloro-4-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963066
2-bromo-N-(2-chloro-4-nitrophenyl)butanamide
CID 62856327
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907
(2R)-2-amino-N-(2-chloro-4-methylphenyl)propanamide;hydrochloride
CID 119262651

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide?
The IUPAC name of (2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide (CID 8571974) is (2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide.
What is the SMILES notation for (2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide?
The canonical SMILES for (2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide is Cc1ccc(NC(=O)[C@@H](C)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(Cl)c1.
What is the InChIKey of (2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide?
The InChIKey is CDUZPVZAUDJJNT-LLVKDONJSA-N. The full InChI is InChI=1S/C16H15ClN2O5S/c1-10-3-8-15(14(17)9-10)18-16(20)11(2)25(23,24)13-6-4-12(5-7-13)19(21)22/h3-9,11H,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide?
(2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide has a molecular weight of 382.83 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-chloro-4-methylphenyl)-2-(4-nitrophenyl)sulfonylpropanamide is sourced from PubChem (CID 8571974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).