N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide

C21H19N3O6S — CID 26949935

IUPACN-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C21H19N3O6S/c1-2-30-16-13-11-15(12-14-16)22-21(25)17-7-3-4-8-18(17)23-31(28,29)20-10-6-5-9-19(20)24(26)27/h3-14,23H,2H2,1H3,(H,22,25)
InChIKeyIVJXCPSMYCKJSB-UHFFFAOYSA-N
MW441.47 g/mol
LogP4.05
Rot. Bonds8

About N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide

N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide (PubChem CID 26949935) has the molecular formula C21H19N3O6S and a molecular weight of 441.47 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
PubChem CID26949935
Molecular FormulaC21H19N3O6S
Molecular Weight441.47 g/mol
Exact Mass441.10
IUPAC NameN-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1
InChIInChI=1S/C21H19N3O6S/c1-2-30-16-13-11-15(12-14-16)22-21(25)17-7-3-4-8-18(17)23-31(28,29)20-10-6-5-9-19(20)24(26)27/h3-14,23H,2H2,1H3,(H,22,25)
InChIKeyIVJXCPSMYCKJSB-UHFFFAOYSA-N
XLogP4.05
TPSA127.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 54.05
H-Bond Donors ≤ 52
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'}

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Related Compounds

N-(4-ethoxyphenyl)-2-nitrobenzamide
CID 711444
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 1324756
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2-methyl-3-nitrobenzamide
CID 26852102
2-[(2-nitrophenyl)sulfonylamino]-N-prop-2-enylbenzamide
CID 7933003
N-[4-[(4-ethoxyphenyl)carbamoyl]phenyl]-2-methyl-3-nitrobenzamide
CID 18231124
N-[4-(2-ethoxyethoxy)phenyl]-2-nitrobenzamide
CID 17130519
2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 819659
N-[2,5-diethoxy-4-[(2-nitrophenyl)sulfonylamino]phenyl]benzamide
CID 19203704
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(2-nitrophenyl)sulfonylamino]benzamide
CID 21369135
N-[(4-ethoxyphenyl)carbamothioyl]-2-nitrobenzamide
CID 882509
2-[(4-ethoxyphenyl)sulfonylamino]-N-propan-2-ylbenzamide
CID 1006691

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide (CID 26949935) is N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide is CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide?
The InChIKey is IVJXCPSMYCKJSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O6S/c1-2-30-16-13-11-15(12-14-16)22-21(25)17-7-3-4-8-18(17)23-31(28,29)20-10-6-5-9-19(20)24(26)27/h3-14,23H,2H2,1H3,(H,22,25).
What are the key properties of N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide?
N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide has a molecular weight of 441.47 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(2-nitrophenyl)sulfonylamino]benzamide is sourced from PubChem (CID 26949935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).