N-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide

C23H23N5O9S2 — CID 10721904

IUPACN-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cccc(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)c2)cc1
InChIInChI=1S/C23H23N5O9S2/c1-16-5-11-20(12-6-16)38(34,35)26-23(30)24-18-3-2-4-21(13-18)39(36,37)27(15-22(29)25-31)14-17-7-9-19(10-8-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30)
InChIKeySKADGQGCAOBKKC-UHFFFAOYSA-N
MW577.60 g/mol
LogP2.11
Rot. Bonds10

About N-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide

N-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide (PubChem CID 10721904) has the molecular formula C23H23N5O9S2 and a molecular weight of 577.60 g/mol. Its IUPAC name is N-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
PubChem CID10721904
Molecular FormulaC23H23N5O9S2
Molecular Weight577.60 g/mol
Exact Mass577.09
IUPAC NameN-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cccc(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)c2)cc1
InChIInChI=1S/C23H23N5O9S2/c1-16-5-11-20(12-6-16)38(34,35)26-23(30)24-18-3-2-4-21(13-18)39(36,37)27(15-22(29)25-31)14-17-7-9-19(10-8-17)28(32)33/h2-13,31H,14-15H2,1H3,(H,25,29)(H2,24,26,30)
InChIKeySKADGQGCAOBKKC-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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Related Compounds

N-hydroxy-2-[(4-methylphenyl)sulfonylcarbamoyl-[(4-nitrophenyl)methyl]amino]acetamide
CID 10550145
N-hydroxy-2-[(4-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 100984437
1-(4-methylphenyl)sulfonyl-3-(4-nitrophenyl)urea
CID 4604602
2-[(4-bromophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(3-methylphenyl)acetamide
CID 126081673
N-hydroxy-3-[(4-nitrophenyl)methyl-(3-nitrophenyl)sulfonylamino]propanamide
CID 10526332
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)acetamide
CID 21380353
N-hydroxy-2-[(4-nitrophenyl)methyl-(2-nitrophenyl)sulfonylamino]acetamide
CID 10573603
N-[3-(dimethylsulfamoyl)phenyl]-2-(4-nitrophenyl)acetamide
CID 26289356
N-(3-acetylphenyl)-2-[(4-bromophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 126090029
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-(3-methoxyphenyl)acetamide
CID 126011407
N-(3-acetylphenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]acetamide
CID 1329241
2-[benzenesulfonyl-[(4-methylphenyl)methyl]amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1330301

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The IUPAC name of N-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide (CID 10721904) is N-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide.
What is the SMILES notation for N-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The canonical SMILES for N-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide is Cc1ccc(S(=O)(=O)NC(=O)Nc2cccc(S(=O)(=O)N(CC(=O)NO)Cc3ccc([N+](=O)[O-])cc3)c2)cc1.
What is the InChIKey of N-hydroxy-2-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
The InChIKey is SKADGQGCAOBKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O9S2/c1-16-5-11-20(12-6-16)38(34,35)26-23(30)24-18-3-2-4-21(13-18)39(36,37)27(15-22(29)25-31)14-17-7-9-19(10-8-17)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-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide?
N-hydroxy-2-[[3-[(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-[[3-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]sulfonyl-[(4-nitrophenyl)methyl]amino]acetamide is sourced from PubChem (CID 10721904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).