2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide

C21H19N3O7S — CID 21310778

IUPAC2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C(=O)NO)cccc2[N+](=O)[O-])cc1
InChIInChI=1S/C21H19N3O7S/c1-31-16-10-12-17(13-11-16)32(29,30)23(14-15-6-3-2-4-7-15)20-18(21(25)22-26)8-5-9-19(20)24(27)28/h2-13,26H,14H2,1H3,(H,22,25)
InChIKeyFDKIFIWQKFBOTH-UHFFFAOYSA-N
MW457.46 g/mol
LogP3.12
Rot. Bonds8

About 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide

2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide (PubChem CID 21310778) has the molecular formula C21H19N3O7S and a molecular weight of 457.46 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide
PubChem CID21310778
Molecular FormulaC21H19N3O7S
Molecular Weight457.46 g/mol
Exact Mass457.09
IUPAC Name2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide
SMILESCOc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C(=O)NO)cccc2[N+](=O)[O-])cc1
InChIInChI=1S/C21H19N3O7S/c1-31-16-10-12-17(13-11-16)32(29,30)23(14-15-6-3-2-4-7-15)20-18(21(25)22-26)8-5-9-19(20)24(27)28/h2-13,26H,14H2,1H3,(H,22,25)
InChIKeyFDKIFIWQKFBOTH-UHFFFAOYSA-N
XLogP3.12
TPSA139.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 53.12
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'}

Analyze 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzoyl-N-hydroxy-4-(4-methoxyphenyl)sulfonyl-3,5-dihydro-2H-1,4-benzodiazepine-3-carboxamide
CID 9869819
N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-methyl-amino]-3-(4-methyl-piperazin-1-ylmethyl)-benzamide
CID 17866675
4-fluoro-N-[1-(4-methoxyphenyl)sulfonyl-2,3-dihydroindol-7-yl]benzamide
CID 24993214
N-[1-(4-methoxy-benzenesulfonyl)-2,3-dihydro-1H-indol-7-yl]-benzamide
CID 25168005
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-benzamide
CID 15859211
N-Hydroxy-2-{(4-methoxy-benzenesulfonyl)-[4-(4-methyl-piperazin-1-yl)-benzyl]-amino}-3-methyl-benzamide
CID 17866459
2-[(4-Diethylamino-but-2-ynyl)-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-methyl-benzamide
CID 21310751
2-[(4-Dimethylaminomethyl-benzyl)-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-methyl-benzamide
CID 21310753
2-[Benzyl-(4-ethoxy-benzenesulfonyl)-amino]-N-hydroxy-3,5-dimethyl-benzamide
CID 21310757
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-methoxy-benzamide
CID 21310775
2-[Benzyl-(4-methoxy-benzenesulfonyl)-amino]-N-hydroxy-3-methyl-benzamide
CID 21310777
2-[Benzyl(4-methoxyphenylsulfonyl)amino]-3-(trifluoromethyl)benzenecarbohydroximic acid
CID 21310779

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide?
The IUPAC name of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide (CID 21310778) is 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide.
What is the SMILES notation for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide?
The canonical SMILES for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide is COc1ccc(S(=O)(=O)N(Cc2ccccc2)c2c(C(=O)NO)cccc2[N+](=O)[O-])cc1.
What is the InChIKey of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide?
The InChIKey is FDKIFIWQKFBOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O7S/c1-31-16-10-12-17(13-11-16)32(29,30)23(14-15-6-3-2-4-7-15)20-18(21(25)22-26)8-5-9-19(20)24(27)28/h2-13,26H,14H2,1H3,(H,22,25).
What are the key properties of 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide?
2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide has a molecular weight of 457.46 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxyphenyl)sulfonylamino]-N-hydroxy-3-nitrobenzamide is sourced from PubChem (CID 21310778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).