N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide

C17H19N3O7S — CID 10525561

IUPACN-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
SMILESCOc1ccc(S(=O)(=O)N(CCC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H19N3O7S/c1-27-15-6-8-16(9-7-15)28(25,26)19(11-10-17(21)18-22)12-13-2-4-14(5-3-13)20(23)24/h2-9,22H,10-12H2,1H3,(H,18,21)
InChIKeyZCNGTOLWHNAQHJ-UHFFFAOYSA-N
MW409.42 g/mol
LogP1.69
Rot. Bonds9

About N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide

N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide (PubChem CID 10525561) has the molecular formula C17H19N3O7S and a molecular weight of 409.42 g/mol. Its IUPAC name is N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
PubChem CID10525561
Molecular FormulaC17H19N3O7S
Molecular Weight409.42 g/mol
Exact Mass409.09
IUPAC NameN-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
SMILESCOc1ccc(S(=O)(=O)N(CCC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C17H19N3O7S/c1-27-15-6-8-16(9-7-15)28(25,26)19(11-10-17(21)18-22)12-13-2-4-14(5-3-13)20(23)24/h2-9,22H,10-12H2,1H3,(H,18,21)
InChIKeyZCNGTOLWHNAQHJ-UHFFFAOYSA-N
XLogP1.69
TPSA139.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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
3-[(2,5-dichlorophenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide
CID 10789615
3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide
CID 10552396
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
N-hydroxy-3-[(4-nitrophenyl)methyl-(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyl)amino]propanamide
CID 10530002
methyl 4-[(4-methoxy-4-oxobutyl)-(4-nitrophenyl)sulfonylamino]butanoate
CID 164875549
methyl 3-[2-(4-methoxyphenyl)ethyl-(3-nitrophenyl)sulfonylamino]propanoate
CID 18678869
N,N-bis[(4-methoxyphenyl)methyl]-3-nitro-4-phosphanylbenzenesulfonamide
CID 170368358
N-hydroxy-3-[2-(4-methoxyphenyl)ethyl-[4-[[4-(trifluoromethyl)phenyl]carbamoylamino]phenyl]sulfonylamino]propanamide
CID 71452286
3-[carboxymethyl-(4-nitrophenyl)sulfonylamino]propanoic acid
CID 175653547
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 3109573

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide?
The IUPAC name of N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide (CID 10525561) is N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide.
What is the SMILES notation for N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide?
The canonical SMILES for N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide is COc1ccc(S(=O)(=O)N(CCC(=O)NO)Cc2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide?
The InChIKey is ZCNGTOLWHNAQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O7S/c1-27-15-6-8-16(9-7-15)28(25,26)19(11-10-17(21)18-22)12-13-2-4-14(5-3-13)20(23)24/h2-9,22H,10-12H2,1H3,(H,18,21).
What are the key properties of N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide?
N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide has a molecular weight of 409.42 g/mol, XLogP of 1.69, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide is sourced from PubChem (CID 10525561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).