N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide

C18H21N3O6S — CID 9203751

IUPACN-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C18H21N3O6S/c1-4-20(5-2)28(25,26)15-9-6-13(7-10-15)19-18(22)16-12-14(21(23)24)8-11-17(16)27-3/h6-12H,4-5H2,1-3H3,(H,19,22)
InChIKeyTZBYXMZNVNXMPG-UHFFFAOYSA-N
MW407.45 g/mol
LogP2.89
Rot. Bonds8

About N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide

N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide (PubChem CID 9203751) has the molecular formula C18H21N3O6S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide.

Molecular Properties

Compound NameN-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
PubChem CID9203751
Molecular FormulaC18H21N3O6S
Molecular Weight407.45 g/mol
Exact Mass407.12
IUPAC NameN-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1
InChIInChI=1S/C18H21N3O6S/c1-4-20(5-2)28(25,26)15-9-6-13(7-10-15)19-18(22)16-12-14(21(23)24)8-11-17(16)27-3/h6-12H,4-5H2,1-3H3,(H,19,22)
InChIKeyTZBYXMZNVNXMPG-UHFFFAOYSA-N
XLogP2.89
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 52.89
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'}

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Related Compounds

5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
N-[4-(diethylamino)phenyl]-2-methoxy-5-nitrobenzamide
CID 46410238
5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
N-(4-chlorophenyl)-2-methoxy-5-nitrobenzamide
CID 9043665
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
5-(azepan-1-ylsulfonyl)-N-[4-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 28591164
2-methoxy-N-[4-(methylcarbamoyl)phenyl]-5-nitrobenzamide
CID 9158588
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-4-methylsulfanylbenzamide
CID 2162628
N-[4-(butylsulfamoyl)phenyl]-5-(diethylsulfamoyl)-2-methoxybenzamide
CID 19257784
N-[4-[ethyl-(2-methoxy-5-nitrophenyl)sulfamoyl]phenyl]acetamide
CID 100500433
N-(3,4-dipropoxyphenyl)-2-methoxy-5-nitrobenzamide
CID 9376413
2-ethoxy-N-(4-methoxyphenyl)-5-nitrobenzamide
CID 141452154

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide?
The IUPAC name of N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide (CID 9203751) is N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide.
What is the SMILES notation for N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide?
The canonical SMILES for N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide is CCN(CC)S(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1.
What is the InChIKey of N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide?
The InChIKey is TZBYXMZNVNXMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O6S/c1-4-20(5-2)28(25,26)15-9-6-13(7-10-15)19-18(22)16-12-14(21(23)24)8-11-17(16)27-3/h6-12H,4-5H2,1-3H3,(H,19,22).
What are the key properties of N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide?
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide has a molecular weight of 407.45 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide is sourced from PubChem (CID 9203751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).