N-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide

C15H15N3O6S — CID 87748582

IUPACN-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NO)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O6S/c1-10-2-7-14(13(8-10)18(21)22)25(23,24)16-9-11-3-5-12(6-4-11)15(19)17-20/h2-8,16,20H,9H2,1H3,(H,17,19)
InChIKeyYAWFXZYWWFMNTM-UHFFFAOYSA-N
MW365.37 g/mol
LogP1.50
Rot. Bonds6

About N-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide

N-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide (PubChem CID 87748582) has the molecular formula C15H15N3O6S and a molecular weight of 365.37 g/mol. Its IUPAC name is N-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide.

Molecular Properties

Compound NameN-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide
PubChem CID87748582
Molecular FormulaC15H15N3O6S
Molecular Weight365.37 g/mol
Exact Mass365.07
IUPAC NameN-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide
SMILESCc1ccc(S(=O)(=O)NCc2ccc(C(=O)NO)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O6S/c1-10-2-7-14(13(8-10)18(21)22)25(23,24)16-9-11-3-5-12(6-4-11)15(19)17-20/h2-8,16,20H,9H2,1H3,(H,17,19)
InChIKeyYAWFXZYWWFMNTM-UHFFFAOYSA-N
XLogP1.50
TPSA138.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.37
LogP ≤ 51.50
H-Bond Donors ≤ 53
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-[4-(hydroxymethyl)phenyl]-4-methyl-2-nitrobenzenesulfonamide
CID 90841659
4-[[(2,5-dimethylphenyl)sulfonylamino]methyl]benzoic acid
CID 852333
N-[(4-chlorophenyl)methyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 19872494
2,4-dinitro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 14616990
2-methoxy-N-[(4-methylphenyl)methyl]-4-nitrobenzenesulfonamide
CID 39619479
4-methyl-N-[2-[(4-methyl-2-nitrophenyl)sulfonylamino]phenyl]-2-nitrobenzenesulfonamide
CID 100971716
2-nitro-N-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]benzenesulfonamide
CID 32682697
N-(2-amino-2-phenylethyl)-4-methyl-2-nitrobenzenesulfonamide
CID 84591511
N-hydroxy-4-[(3-methylanilino)methyl]benzamide
CID 170564878
4-methyl-N-[(4-methylphenyl)methyl]-3-nitrobenzamide
CID 2671607
5-methyl-4-[(4-methylphenyl)methylsulfamoyl]furan-2-carboxylic acid
CID 62803246
2-bromo-N-[(4-chlorophenyl)methyl]-4-methylbenzenesulfonamide
CID 51888410

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide?
The IUPAC name of N-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide (CID 87748582) is N-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide.
What is the SMILES notation for N-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide?
The canonical SMILES for N-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide is Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)NO)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide?
The InChIKey is YAWFXZYWWFMNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O6S/c1-10-2-7-14(13(8-10)18(21)22)25(23,24)16-9-11-3-5-12(6-4-11)15(19)17-20/h2-8,16,20H,9H2,1H3,(H,17,19).
What are the key properties of N-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide?
N-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide has a molecular weight of 365.37 g/mol, XLogP of 1.50, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[[(4-methyl-2-nitrophenyl)sulfonylamino]methyl]benzamide is sourced from PubChem (CID 87748582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).