N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide

C22H19ClN2O6S — CID 19211344

IUPACN-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide
SMILESCCOc1ccc(N(C(=O)c2ccc(C)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O6S/c1-3-31-19-10-8-18(9-11-19)24(32(29,30)20-12-6-17(23)7-13-20)22(26)16-5-4-15(2)21(14-16)25(27)28/h4-14H,3H2,1-2H3
InChIKeyQNEJDPFBKMYSFP-UHFFFAOYSA-N
MW474.92 g/mol
LogP4.99
Rot. Bonds7

About N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide

N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide (PubChem CID 19211344) has the molecular formula C22H19ClN2O6S and a molecular weight of 474.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide
PubChem CID19211344
Molecular FormulaC22H19ClN2O6S
Molecular Weight474.92 g/mol
Exact Mass474.07
IUPAC NameN-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide
SMILESCCOc1ccc(N(C(=O)c2ccc(C)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H19ClN2O6S/c1-3-31-19-10-8-18(9-11-19)24(32(29,30)20-12-6-17(23)7-13-20)22(26)16-5-4-15(2)21(14-16)25(27)28/h4-14H,3H2,1-2H3
InChIKeyQNEJDPFBKMYSFP-UHFFFAOYSA-N
XLogP4.99
TPSA106.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.92
LogP ≤ 54.99
H-Bond Donors ≤ 50
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-butylphenyl)-N-(4-chlorophenyl)sulfonyl-4-methyl-3-nitrobenzamide
CID 19211347
N-(benzenesulfonyl)-N-(4-ethylphenyl)-4-methyl-3-nitrobenzamide
CID 19211337
N-(4-butylphenyl)-4-methyl-N-(4-methylphenyl)sulfonyl-3-nitrobenzamide
CID 19211346
N-(benzenesulfonyl)-N-(4-ethoxyphenyl)-3-nitrobenzamide
CID 19211370
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
CID 19210329
N-(4-chlorophenyl)sulfonyl-N-(4-methoxyphenyl)-4-nitrobenzamide
CID 2907624
4-(4-chlorophenoxy)-N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)butanamide
CID 19218828
N-(4-chlorophenyl)sulfonyl-2-(2,4-dimethylphenoxy)-N-(4-ethoxyphenyl)acetamide
CID 19218128
N'-(4-ethoxybenzoyl)-4-methyl-3-nitrobenzohydrazide
CID 26187335
4-tert-butyl-N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonylbenzamide
CID 19211038
N-(4-ethoxyphenyl)-N-(4-methylphenyl)sulfonyl-4-phenylbenzamide
CID 19211132
N-(4-chlorophenyl)sulfonyl-2-(4-ethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 19219172

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide?
The IUPAC name of N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide (CID 19211344) is N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide?
The canonical SMILES for N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide is CCOc1ccc(N(C(=O)c2ccc(C)c([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide?
The InChIKey is QNEJDPFBKMYSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O6S/c1-3-31-19-10-8-18(9-11-19)24(32(29,30)20-12-6-17(23)7-13-20)22(26)16-5-4-15(2)21(14-16)25(27)28/h4-14H,3H2,1-2H3.
What are the key properties of N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide?
N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide has a molecular weight of 474.92 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)sulfonyl-N-(4-ethoxyphenyl)-4-methyl-3-nitrobenzamide is sourced from PubChem (CID 19211344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).