(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide

C16H15Cl2N3O5S — CID 124551127

IUPAC(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCc1c(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H15Cl2N3O5S/c1-9-13(4-3-5-14(9)21(23)24)19-16(22)10(2)20-27(25,26)15-8-11(17)6-7-12(15)18/h3-8,10,20H,1-2H3,(H,19,22)/t10-/m0/s1
InChIKeyIFRCKBJSXDCVMY-JTQLQIEISA-N
MW432.29 g/mol
LogP3.52
Rot. Bonds6

About (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide

(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide (PubChem CID 124551127) has the molecular formula C16H15Cl2N3O5S and a molecular weight of 432.29 g/mol. Its IUPAC name is (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide
PubChem CID124551127
Molecular FormulaC16H15Cl2N3O5S
Molecular Weight432.29 g/mol
Exact Mass431.01
IUPAC Name(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide
SMILESCc1c(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-]
InChIInChI=1S/C16H15Cl2N3O5S/c1-9-13(4-3-5-14(9)21(23)24)19-16(22)10(2)20-27(25,26)15-8-11(17)6-7-12(15)18/h3-8,10,20H,1-2H3,(H,19,22)/t10-/m0/s1
InChIKeyIFRCKBJSXDCVMY-JTQLQIEISA-N
XLogP3.52
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.29
LogP ≤ 53.52
H-Bond Donors ≤ 52
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

2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide
CID 2969563
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-ethylphenyl)propanamide
CID 124550207
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 124549696
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 5140094
2-(3-chloro-N-methylsulfonylanilino)-N-(2-methyl-3-nitrophenyl)propanamide
CID 132663994
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methoxy-5-methylphenyl)propanamide
CID 126398525
2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide
CID 4320202
2-[(5-chloro-2-ethoxyphenyl)sulfonylamino]-N-(2,3-dimethylphenyl)propanamide
CID 43890349
(2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide
CID 95321208
2-chloro-N-(2-methyl-3-nitrophenyl)-5-methylsulfonylbenzamide
CID 43012309
tert-butyl N-[(2R)-1-(2-methyl-3-nitroanilino)-1-oxopropan-2-yl]carbamate
CID 94097115
(2S)-N-(2,5-dichlorophenyl)-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 41329496

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide?
The IUPAC name of (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide (CID 124551127) is (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide.
What is the SMILES notation for (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide?
The canonical SMILES for (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide is Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-].
What is the InChIKey of (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide?
The InChIKey is IFRCKBJSXDCVMY-JTQLQIEISA-N. The full InChI is InChI=1S/C16H15Cl2N3O5S/c1-9-13(4-3-5-14(9)21(23)24)19-16(22)10(2)20-27(25,26)15-8-11(17)6-7-12(15)18/h3-8,10,20H,1-2H3,(H,19,22)/t10-/m0/s1.
What are the key properties of (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide?
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide has a molecular weight of 432.29 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide is sourced from PubChem (CID 124551127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).