2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide

C20H16BrN3O5S — CID 2889303

IUPAC2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide
SMILESO=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cccc(Br)c1
InChIInChI=1S/C20H16BrN3O5S/c21-15-5-4-6-16(13-15)22-20(25)14-23(17-9-11-18(12-10-17)24(26)27)30(28,29)19-7-2-1-3-8-19/h1-13H,14H2,(H,22,25)
InChIKeyIWWICKYQMIIGDJ-UHFFFAOYSA-N
MW490.34 g/mol
LogP4.19
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide

2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide (PubChem CID 2889303) has the molecular formula C20H16BrN3O5S and a molecular weight of 490.34 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide
PubChem CID2889303
Molecular FormulaC20H16BrN3O5S
Molecular Weight490.34 g/mol
Exact Mass489.00
IUPAC Name2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide
SMILESO=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cccc(Br)c1
InChIInChI=1S/C20H16BrN3O5S/c21-15-5-4-6-16(13-15)22-20(25)14-23(17-9-11-18(12-10-17)24(26)27)30(28,29)19-7-2-1-3-8-19/h1-13H,14H2,(H,22,25)
InChIKeyIWWICKYQMIIGDJ-UHFFFAOYSA-N
XLogP4.19
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
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'}

Analyze 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)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-(3-methylsulfanylphenyl)acetamide
CID 2928712
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 3109583
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3,4-dimethylphenyl)acetamide
CID 2889961
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(3-nitrophenyl)acetamide
CID 126035131
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-chloro-4-fluorophenyl)acetamide
CID 2930433
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenoxyphenyl)acetamide
CID 30173217
N-(2-hydrazinyl-2-oxoethyl)-N-(4-nitrophenyl)benzenesulfonamide
CID 91671587
N-(3-bromophenyl)-2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30171190
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(2,4,6-trimethylphenyl)acetamide
CID 2943131
2-[N-(benzenesulfonyl)-3-methoxyanilino]-N-(3-bromophenyl)acetamide
CID 1204014
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(4-phenylmethoxyphenyl)acetamide
CID 51344771
2-[N-(benzenesulfonyl)-3-bromoanilino]-N-[(Z)-(4-nitrophenyl)methylideneamino]acetamide
CID 124542642

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide (CID 2889303) is 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide is O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cccc(Br)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide?
The InChIKey is IWWICKYQMIIGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O5S/c21-15-5-4-6-16(13-15)22-20(25)14-23(17-9-11-18(12-10-17)24(26)27)30(28,29)19-7-2-1-3-8-19/h1-13H,14H2,(H,22,25).
What are the key properties of 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide?
2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide has a molecular weight of 490.34 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-4-nitroanilino]-N-(3-bromophenyl)acetamide is sourced from PubChem (CID 2889303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).