3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide

C22H24N4O6S — CID 10552396

IUPAC3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide
SMILESCN(C)c1cccc2c(S(=O)(=O)N(CCC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)cccc12
InChIInChI=1S/C22H24N4O6S/c1-24(2)20-7-3-6-19-18(20)5-4-8-21(19)33(31,32)25(14-13-22(27)23-28)15-16-9-11-17(12-10-16)26(29)30/h3-12,28H,13-15H2,1-2H3,(H,23,27)
InChIKeyNPUFWOCKSXLDBW-UHFFFAOYSA-N
MW472.52 g/mol
LogP2.90
Rot. Bonds9

About 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide

3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide (PubChem CID 10552396) has the molecular formula C22H24N4O6S and a molecular weight of 472.52 g/mol. Its IUPAC name is 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide.

Molecular Properties

Compound Name3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide
PubChem CID10552396
Molecular FormulaC22H24N4O6S
Molecular Weight472.52 g/mol
Exact Mass472.14
IUPAC Name3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide
SMILESCN(C)c1cccc2c(S(=O)(=O)N(CCC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)cccc12
InChIInChI=1S/C22H24N4O6S/c1-24(2)20-7-3-6-19-18(20)5-4-8-21(19)33(31,32)25(14-13-22(27)23-28)15-16-9-11-17(12-10-16)26(29)30/h3-12,28H,13-15H2,1-2H3,(H,23,27)
InChIKeyNPUFWOCKSXLDBW-UHFFFAOYSA-N
XLogP2.90
TPSA133.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.52
LogP ≤ 52.90
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
N-hydroxy-3-[(4-methoxyphenyl)sulfonyl-[(4-nitrophenyl)methyl]amino]propanamide
CID 10525561
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
3-[butyl(naphthalen-1-ylsulfonyl)amino]-N-hydroxypropanamide
CID 142683354
(2S)-2-[benzyl-[5-(dimethylamino)naphthalen-1-yl]sulfonylamino]-3-methylbutanoic acid
CID 10836847
N-hydroxy-5-(4-nitrophenyl)pentanamide
CID 142619075
N,N-dimethyl-5-[4-(4-nitrophenyl)piperazin-1-yl]sulfonylnaphthalen-1-amine
CID 3865863
5-(dimethylamino)-N-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-ethylamino]propyl]amino](214C)propyl]amino]propyl]-N-ethylnaphthalene-1-sulfonamide
CID 10820158
N,N-bis(3-azidopropyl)-5-(dimethylamino)naphthalene-1-sulfonamide
CID 71405546

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide?
The IUPAC name of 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide (CID 10552396) is 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide.
What is the SMILES notation for 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide?
The canonical SMILES for 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide is CN(C)c1cccc2c(S(=O)(=O)N(CCC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)cccc12.
What is the InChIKey of 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide?
The InChIKey is NPUFWOCKSXLDBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O6S/c1-24(2)20-7-3-6-19-18(20)5-4-8-21(19)33(31,32)25(14-13-22(27)23-28)15-16-9-11-17(12-10-16)26(29)30/h3-12,28H,13-15H2,1-2H3,(H,23,27).
What are the key properties of 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide?
3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide has a molecular weight of 472.52 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(dimethylamino)naphthalen-1-yl]sulfonyl-[(4-nitrophenyl)methyl]amino]-N-hydroxypropanamide is sourced from PubChem (CID 10552396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).