2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide

C26H21N3O6S — CID 30173217

IUPAC2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H21N3O6S/c30-26(27-20-11-17-24(18-12-20)35-23-7-3-1-4-8-23)19-28(21-13-15-22(16-14-21)29(31)32)36(33,34)25-9-5-2-6-10-25/h1-18H,19H2,(H,27,30)
InChIKeySTSZMYDIGJZEEQ-UHFFFAOYSA-N
MW503.54 g/mol
LogP5.22
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide

2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide (PubChem CID 30173217) has the molecular formula C26H21N3O6S and a molecular weight of 503.54 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide
PubChem CID30173217
Molecular FormulaC26H21N3O6S
Molecular Weight503.54 g/mol
Exact Mass503.12
IUPAC Name2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide
SMILESO=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C26H21N3O6S/c30-26(27-20-11-17-24(18-12-20)35-23-7-3-1-4-8-23)19-28(21-13-15-22(16-14-21)29(31)32)36(33,34)25-9-5-2-6-10-25/h1-18H,19H2,(H,27,30)
InChIKeySTSZMYDIGJZEEQ-UHFFFAOYSA-N
XLogP5.22
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.54
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 51344771
2-(N-(4-methylphenyl)sulfonyl-3-nitroanilino)-N-(4-phenoxyphenyl)acetamide
CID 141328819
2-[N-(benzenesulfonyl)-4-ethoxyanilino]-N-(4-phenoxyphenyl)acetamide
CID 30169662
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3,4-dimethylphenyl)acetamide
CID 2889961
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide
CID 2889303
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 2930433
N-(2-hydrazinyl-2-oxoethyl)-N-(4-nitrophenyl)benzenesulfonamide
CID 91671587
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 2897695
2-[N-(benzenesulfonyl)-4-phenoxyanilino]-N-(2-methyl-3-nitrophenyl)acetamide
CID 126413914
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(4-phenoxyphenyl)acetamide
CID 126386472
2-(N-(3,4-dimethoxyphenyl)sulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 126127532
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-methylsulfanylphenyl)acetamide
CID 2928712

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide (CID 30173217) is 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide is O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide?
The InChIKey is STSZMYDIGJZEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O6S/c30-26(27-20-11-17-24(18-12-20)35-23-7-3-1-4-8-23)19-28(21-13-15-22(16-14-21)29(31)32)36(33,34)25-9-5-2-6-10-25/h1-18H,19H2,(H,27,30).
What are the key properties of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide?
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide has a molecular weight of 503.54 g/mol, XLogP of 5.22, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 30173217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).