N-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide

C23H23N5O9S2 — CID 10579086

IUPACN-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C23H23N5O9S2/c1-16-2-10-20(11-3-16)38(34,35)26-23(30)24-18-6-12-21(13-7-18)39(36,37)27(15-22(29)25-31)14-17-4-8-19(9-5-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30)
InChIKeyMHGISLAIZQKUNW-UHFFFAOYSA-N
MW577.60 g/mol
LogP2.11
Rot. Bonds10

About N-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide

N-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide (PubChem CID 10579086) has the molecular formula C23H23N5O9S2 and a molecular weight of 577.60 g/mol. Its IUPAC name is N-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
PubChem CID10579086
Molecular FormulaC23H23N5O9S2
Molecular Weight577.60 g/mol
Exact Mass577.09
IUPAC NameN-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C23H23N5O9S2/c1-16-2-10-20(11-3-16)38(34,35)26-23(30)24-18-6-12-21(13-7-18)39(36,37)27(15-22(29)25-31)14-17-4-8-19(9-5-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30)
InChIKeyMHGISLAIZQKUNW-UHFFFAOYSA-N
XLogP2.11
TPSA205.12 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500577.60
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The IUPAC name of N-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide (CID 10579086) is N-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The canonical SMILES for N-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide is Cc1ccc(S(=O)(=O)NC(=O)Nc2ccc(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)cc2)cc1.
What is the InChIKey of N-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The InChIKey is MHGISLAIZQKUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O9S2/c1-16-2-10-20(11-3-16)38(34,35)26-23(30)24-18-6-12-21(13-7-18)39(36,37)27(15-22(29)25-31)14-17-4-8-19(9-5-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30).
What are the key properties of N-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
N-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide has a molecular weight of 577.60 g/mol, XLogP of 2.11, 10 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[[4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide is sourced from PubChem (CID 10579086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).