3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide

C16H15Cl2N3O6S — CID 10789615

IUPAC3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide
SMILESO=C(CCN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NO
InChIInChI=1S/C16H15Cl2N3O6S/c17-12-3-6-14(18)15(9-12)28(26,27)20(8-7-16(22)19-23)10-11-1-4-13(5-2-11)21(24)25/h1-6,9,23H,7-8,10H2,(H,19,22)
InChIKeyPZHSYSCOVAJWOX-UHFFFAOYSA-N
MW448.28 g/mol
LogP2.99
Rot. Bonds8

About 3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide

3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide (PubChem CID 10789615) has the molecular formula C16H15Cl2N3O6S and a molecular weight of 448.28 g/mol. Its IUPAC name is 3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide
PubChem CID10789615
Molecular FormulaC16H15Cl2N3O6S
Molecular Weight448.28 g/mol
Exact Mass447.01
IUPAC Name3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide
SMILESO=C(CCN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NO
InChIInChI=1S/C16H15Cl2N3O6S/c17-12-3-6-14(18)15(9-12)28(26,27)20(8-7-16(22)19-23)10-11-1-4-13(5-2-11)21(24)25/h1-6,9,23H,7-8,10H2,(H,19,22)
InChIKeyPZHSYSCOVAJWOX-UHFFFAOYSA-N
XLogP2.99
TPSA129.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.28
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide
CID 10526332
N-hydroxy-3-[methylsulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10852942
N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10525561
3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide
CID 10552396
3-(2-chloro-N-(2,5-dichlorophenyl)sulfonyl-5-nitroanilino)propanoic acid
CID 50894227
N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide
CID 10573603
N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide
CID 10530002
methyl 2-[benzyl-(2-chloro-5-nitrophenyl)sulfonylamino]acetate
CID 113225434
2-chloro-N-(2-hydroxyethyl)-5-nitro-N-propylbenzenesulfonamide
CID 61045394
N-benzyl-2-[benzyl-(2,5-dichlorophenyl)sulfonylamino]acetamide
CID 126012482
N-benzyl-N-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]-2,5-dichlorobenzenesulfonamide
CID 42699545
ethyl 5-[(2,5-dichlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]pentanoate
CID 4185013

Frequently Asked Questions

What is the IUPAC name of 3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide?
The IUPAC name of 3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide (CID 10789615) is 3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for 3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide?
The canonical SMILES for 3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide is O=C(CCN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1cc(Cl)ccc1Cl)NO.
What is the InChIKey of 3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide?
The InChIKey is PZHSYSCOVAJWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N3O6S/c17-12-3-6-14(18)15(9-12)28(26,27)20(8-7-16(22)19-23)10-11-1-4-13(5-2-11)21(24)25/h1-6,9,23H,7-8,10H2,(H,19,22).
What are the key properties of 3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide?
3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide has a molecular weight of 448.28 g/mol, XLogP of 2.99, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 10789615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).