2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride

C15H13ClN2O6S — CID 2758762

IUPAC2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride
SMILESCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Cl
InChIInChI=1S/C15H13ClN2O6S/c1-2-24-13-8-5-11(9-14(13)25(16,22)23)17-15(19)10-3-6-12(7-4-10)18(20)21/h3-9H,2H2,1H3,(H,17,19)
InChIKeyXJRYPCNUGBBNSV-UHFFFAOYSA-N
MW384.80 g/mol
LogP3.17
Rot. Bonds6

About 2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride

2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride (PubChem CID 2758762) has the molecular formula C15H13ClN2O6S and a molecular weight of 384.80 g/mol. Its IUPAC name is 2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride.

Molecular Properties

Compound Name2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride
PubChem CID2758762
Molecular FormulaC15H13ClN2O6S
Molecular Weight384.80 g/mol
Exact Mass384.02
IUPAC Name2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride
SMILESCCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Cl
InChIInChI=1S/C15H13ClN2O6S/c1-2-24-13-8-5-11(9-14(13)25(16,22)23)17-15(19)10-3-6-12(7-4-10)18(20)21/h3-9H,2H2,1H3,(H,17,19)
InChIKeyXJRYPCNUGBBNSV-UHFFFAOYSA-N
XLogP3.17
TPSA115.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.80
LogP ≤ 53.17
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-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride 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-ethoxy-5-[(4-formylbenzoyl)amino]benzenesulfonyl chloride
CID 84819728
3-ethoxy-N-(4-nitrophenyl)-4-propoxybenzamide
CID 3276495
3,4-diethoxy-N-[3-[[(4-nitrobenzoyl)amino]carbamoyl]phenyl]benzamide
CID 126225259
3,5-dichloro-4-ethoxy-N-(4-nitrophenyl)benzamide
CID 2934653
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-nitrobenzamide
CID 3950835
4-(ethylamino)-N-(4-nitrophenyl)benzamide
CID 62165605
N-(3-hydroxy-4-methoxyphenyl)-4-nitrobenzamide
CID 7478754
4-amino-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-nitrobenzamide
CID 25445526
ethyl 4-[(4-nitrobenzoyl)amino]benzoate
CID 744546
N-[3-(diethylsulfamoyl)-4-ethoxyphenyl]-3-fluoro-4-methyl-5-nitrobenzamide
CID 46491311
N-(3,4-diethoxyphenyl)-4-methoxy-3-nitrobenzamide
CID 1265698
4-ethoxy-3-methoxy-N-[2-(4-nitroanilino)ethyl]benzamide
CID 9308893

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride?
The IUPAC name of 2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride (CID 2758762) is 2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride.
What is the SMILES notation for 2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride?
The canonical SMILES for 2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride is CCOc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Cl.
What is the InChIKey of 2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride?
The InChIKey is XJRYPCNUGBBNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2O6S/c1-2-24-13-8-5-11(9-14(13)25(16,22)23)17-15(19)10-3-6-12(7-4-10)18(20)21/h3-9H,2H2,1H3,(H,17,19).
What are the key properties of 2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride?
2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride has a molecular weight of 384.80 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-5-[(4-nitrobenzoyl)amino]benzenesulfonyl chloride is sourced from PubChem (CID 2758762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).