2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide

C15H15N3O5S — CID 893116

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H15N3O5S/c1-11-5-7-14(8-6-11)24(22,23)16-10-15(19)17-12-3-2-4-13(9-12)18(20)21/h2-9,16H,10H2,1H3,(H,17,19)
InChIKeyVFHKXAIMOFHXNY-UHFFFAOYSA-N
MW349.37 g/mol
LogP1.82
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide

2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide (PubChem CID 893116) has the molecular formula C15H15N3O5S and a molecular weight of 349.37 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
PubChem CID893116
Molecular FormulaC15H15N3O5S
Molecular Weight349.37 g/mol
Exact Mass349.07
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C15H15N3O5S/c1-11-5-7-14(8-6-11)24(22,23)16-10-15(19)17-12-3-2-4-13(9-12)18(20)21/h2-9,16H,10H2,1H3,(H,17,19)
InChIKeyVFHKXAIMOFHXNY-UHFFFAOYSA-N
XLogP1.82
TPSA118.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 51.82
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-(4-(((4-Methylphenyl)sulfonyl)amino)-3-nitrophenyl)acetamide
CID 3091011
4-methyl-N-[2-(4-nitroanilino)ethyl]benzenesulfonamide
CID 2969582
N-(2-{[(4-methyl-3-nitrophenyl)sulfonyl]amino}ethyl)acetamide
CID 15997409
N-(3-{[(2-nitrophenyl)sulfonyl]amino}phenyl)acetamide
CID 556679
N-[4-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 1339985
N-Hydroxy-2-[(2-nitro-benzyl)-(toluene-4-sulfonyl)-amino]-propionamide
CID 44312316
N-(4-{[(4-fluoro-3-nitrophenyl)amino]sulfonyl}phenyl)acetamide
CID 1118251
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-propionamide
CID 10072874
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-acetamide
CID 10343434
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-isobutyramide
CID 10367560
N-(3-{4-[4-(toluene-4-sulfonylamino)-butyl]-piperazin-1-yl}-phenyl)-butyramide
CID 10412550
1-[({[(4-Methylphenyl)sulfonyl]amino}carbonyl)amino]-3-nitrobenzene
CID 821120

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide (CID 893116) is 2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide is Cc1ccc(S(=O)(=O)NCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide?
The InChIKey is VFHKXAIMOFHXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5S/c1-11-5-7-14(8-6-11)24(22,23)16-10-15(19)17-12-3-2-4-13(9-12)18(20)21/h2-9,16H,10H2,1H3,(H,17,19).
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide?
2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide has a molecular weight of 349.37 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-(3-nitrophenyl)acetamide is sourced from PubChem (CID 893116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).