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

C15H13Cl2N3O5S — CID 2969563

IUPAC2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide
SMILESCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13Cl2N3O5S/c1-9(15(21)18-11-3-2-4-12(8-11)20(22)23)19-26(24,25)14-7-10(16)5-6-13(14)17/h2-9,19H,1H3,(H,18,21)
InChIKeyHIOHHDUGFZNPKC-UHFFFAOYSA-N
MW418.26 g/mol
LogP3.21
Rot. Bonds6

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

2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide (PubChem CID 2969563) has the molecular formula C15H13Cl2N3O5S and a molecular weight of 418.26 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide
PubChem CID2969563
Molecular FormulaC15H13Cl2N3O5S
Molecular Weight418.26 g/mol
Exact Mass417.00
IUPAC Name2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide
SMILESCC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C15H13Cl2N3O5S/c1-9(15(21)18-11-3-2-4-12(8-11)20(22)23)19-26(24,25)14-7-10(16)5-6-13(14)17/h2-9,19H,1H3,(H,18,21)
InChIKeyHIOHHDUGFZNPKC-UHFFFAOYSA-N
XLogP3.21
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.26
LogP ≤ 53.21
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

(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-methyl-3-nitrophenyl)propanamide
CID 124551127
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2,6-dimethylphenyl)propanamide
CID 124549696
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(2,5-dichlorophenyl)sulfonylamino]propanamide
CID 126396716
(2R)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)propanamide
CID 126394209
3-methyl-N-(3-nitrophenyl)-2-[(2-nitrophenyl)sulfonylamino]butanamide
CID 25046640
2,5-dichloro-N-(1-hydrazinyl-1-oxopropan-2-yl)benzenesulfonamide
CID 4320202
(2S)-2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2-ethylphenyl)propanamide
CID 124550207
2-(3-chloro-4-methylanilino)-N-(3-nitrophenyl)propanamide
CID 46799452
(2R)-2-[(2-nitrophenyl)sulfonylamino]-N-phenylpropanamide
CID 95321208
(2S)-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-(3-nitrophenyl)propanamide
CID 41178529
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(2,4-dimethylphenyl)propanamide
CID 5140094
2-(3,4-dichlorophenoxy)-N-(3-nitrophenyl)propanamide
CID 13052549

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide (CID 2969563) is 2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide is CC(NS(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide?
The InChIKey is HIOHHDUGFZNPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O5S/c1-9(15(21)18-11-3-2-4-12(8-11)20(22)23)19-26(24,25)14-7-10(16)5-6-13(14)17/h2-9,19H,1H3,(H,18,21).
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide?
2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide has a molecular weight of 418.26 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonylamino]-N-(3-nitrophenyl)propanamide is sourced from PubChem (CID 2969563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).