2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide

C26H21ClN4O7S2 — CID 43880254

IUPAC2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
SMILESO=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H21ClN4O7S2/c27-19-10-12-21(13-11-19)29-39(35,36)22-16-14-20(15-17-22)28-26(32)18-30(24-8-4-5-9-25(24)31(33)34)40(37,38)23-6-2-1-3-7-23/h1-17,29H,18H2,(H,28,32)
InChIKeyQIUKGUGKGUDBLF-UHFFFAOYSA-N
MW601.06 g/mol
LogP4.88
Rot. Bonds10

About 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide

2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide (PubChem CID 43880254) has the molecular formula C26H21ClN4O7S2 and a molecular weight of 601.06 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
PubChem CID43880254
Molecular FormulaC26H21ClN4O7S2
Molecular Weight601.06 g/mol
Exact Mass600.05
IUPAC Name2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
SMILESO=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H21ClN4O7S2/c27-19-10-12-21(13-11-19)29-39(35,36)22-16-14-20(15-17-22)28-26(32)18-30(24-8-4-5-9-25(24)31(33)34)40(37,38)23-6-2-1-3-7-23/h1-17,29H,18H2,(H,28,32)
InChIKeyQIUKGUGKGUDBLF-UHFFFAOYSA-N
XLogP4.88
TPSA155.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500601.06
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]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)-2-nitroanilino]-N-[4-[(3-chloro-2-methylphenyl)sulfamoyl]phenyl]acetamide
CID 43882163
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881556
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-(phenylsulfamoyl)phenyl]acetamide
CID 126190753
2-[N-(benzenesulfonyl)-5-chloro-2-methoxyanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880647
2-[N-(benzenesulfonyl)-2-nitroanilino]-N-(4-butylphenyl)acetamide
CID 21372897
2-[N-(benzenesulfonyl)-2,5-dichloroanilino]-N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 4210454
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881631
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 43879946
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(4-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126173663
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880441
2-(N-(4-chlorophenyl)sulfonyl-2-methylanilino)-N-[4-[(3-methylphenyl)sulfamoyl]phenyl]acetamide
CID 126416913
2-(N-(4-chlorophenyl)sulfonyl-2-ethoxyanilino)-N-[4-[(3,5-dichlorophenyl)sulfamoyl]phenyl]acetamide
CID 126183320

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide (CID 43880254) is 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide is O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
The InChIKey is QIUKGUGKGUDBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O7S2/c27-19-10-12-21(13-11-19)29-39(35,36)22-16-14-20(15-17-22)28-26(32)18-30(24-8-4-5-9-25(24)31(33)34)40(37,38)23-6-2-1-3-7-23/h1-17,29H,18H2,(H,28,32).
What are the key properties of 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide?
2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide has a molecular weight of 601.06 g/mol, XLogP of 4.88, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2-nitroanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 43880254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).