N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide

C15H15N3O5S — CID 3091011

IUPACN-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O5S/c1-10-3-6-13(7-4-10)24(22,23)17-14-8-5-12(16-11(2)19)9-15(14)18(20)21/h3-9,17H,1-2H3,(H,16,19)
InChIKeyYXFVTZLBIHDFKW-UHFFFAOYSA-N
MW349.37 g/mol
LogP2.66
Rot. Bonds5

About N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide

N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide (PubChem CID 3091011) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide
PubChem CID3091011
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC NameN-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H15N3O5S/c1-10-3-6-13(7-4-10)24(22,23)17-14-8-5-12(16-11(2)19)9-15(14)18(20)21/h3-9,17H,1-2H3,(H,16,19)
InChIKeyYXFVTZLBIHDFKW-UHFFFAOYSA-N
XLogP2.66
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(2-nitrophenyl)sulfonylamino]phenyl]acetamide
CID 808022
N-(3-{[(2-nitrophenyl)sulfonyl]amino}phenyl)acetamide
CID 556679
N~2~-[(4-methylphenyl)sulfonyl]-N~1~-(3-nitrophenyl)glycinamide
CID 893116
N-[4-[(2-nitrophenyl)sulfamoyl]phenyl]acetamide
CID 346529
1-[({[(4-Methylphenyl)sulfonyl]amino}carbonyl)amino]-3-nitrobenzene
CID 821120
2-[cyclohexyl-(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
CID 1337443
N~1~,N~1~-dimethyl-N~2~-[(4-methylphenyl)sulfonyl]-N~2~-(3-nitrophenyl)glycinamide
CID 2199717
4-(dimethylsulfamoyl)-N-(2-nitrophenyl)benzamide
CID 2966317
N-[3-[(4-methylphenyl)sulfonylmethyl]-2,4-dinitrophenyl]acetamide
CID 4051043
N-(2-methyl-3-nitrophenyl)-2,4-dioxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-7-sulfonamide
CID 24789944
N-[4-({3-nitro-4-methylanilino}sulfonyl)phenyl]acetamide
CID 898682
N-(4-{[(2-methyl-5-nitrophenyl)sulfonyl]amino}phenyl)acetamide
CID 2944977

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide?
The IUPAC name of N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide (CID 3091011) is N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide.
What is the SMILES notation for N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide?
The canonical SMILES for N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide?
The InChIKey is YXFVTZLBIHDFKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-10-3-6-13(7-4-10)24(22,23)17-14-8-5-12(16-11(2)19)9-15(14)18(20)21/h3-9,17H,1-2H3,(H,16,19).
What are the key properties of N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide?
N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide has a molecular weight of 349.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylphenyl)sulfonylamino]-3-nitrophenyl]acetamide is sourced from PubChem (CID 3091011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).