N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide

C18H20ClN3O6S — CID 19257773

IUPACN-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C18H20ClN3O6S/c1-4-21(5-2)29(26,27)13-7-9-17(28-3)14(11-13)18(23)20-15-8-6-12(19)10-16(15)22(24)25/h6-11H,4-5H2,1-3H3,(H,20,23)
InChIKeyCVOJHXYVHPTROK-UHFFFAOYSA-N
MW441.89 g/mol
LogP3.54
Rot. Bonds8

About N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide

N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide (PubChem CID 19257773) has the molecular formula C18H20ClN3O6S and a molecular weight of 441.89 g/mol. Its IUPAC name is N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide
PubChem CID19257773
Molecular FormulaC18H20ClN3O6S
Molecular Weight441.89 g/mol
Exact Mass441.08
IUPAC NameN-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C18H20ClN3O6S/c1-4-21(5-2)29(26,27)13-7-9-17(28-3)14(11-13)18(23)20-15-8-6-12(19)10-16(15)22(24)25/h6-11H,4-5H2,1-3H3,(H,20,23)
InChIKeyCVOJHXYVHPTROK-UHFFFAOYSA-N
XLogP3.54
TPSA118.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 53.54
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-chloro-N-[2-chloro-5-(diethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 55343210
5-chloro-N-(4-ethoxy-2-nitrophenyl)-2-methoxybenzamide
CID 2933842
5-chloro-N-(4-fluoro-2-nitrophenyl)-2-methoxybenzamide
CID 56827700
N-[5-(diethylsulfamoyl)-2-methoxyphenyl]-4-(methylamino)-3-nitrobenzamide
CID 4802800
N-[4-(diethylsulfamoyl)phenyl]-2-methoxy-5-nitrobenzamide
CID 9203751
N-(4-chloro-2-nitrophenyl)-3-methoxynaphthalene-2-carboxamide
CID 2833332
5-(diethylsulfamoyl)-N-(2,5-dimethylphenyl)-2-methoxybenzamide
CID 19257768
5-(diethylsulfamoyl)-2-methoxy-N-phenylbenzamide
CID 19257737
5-(diethylsulfamoyl)-N-(3-fluoro-4-methoxyphenyl)-2-methoxybenzamide
CID 55796499
5-(diethylsulfamoyl)-N-[4-(dimethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 19257781
5-(diethylsulfamoyl)-N-(2,6-dimethylphenyl)-2-methoxybenzamide
CID 19257762
N-(4-chloro-2-nitrophenyl)-3-methoxythiophene-2-carboxamide
CID 4594147

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide?
The IUPAC name of N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide (CID 19257773) is N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide.
What is the SMILES notation for N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide?
The canonical SMILES for N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide is CCN(CC)S(=O)(=O)c1ccc(OC)c(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1.
What is the InChIKey of N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide?
The InChIKey is CVOJHXYVHPTROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O6S/c1-4-21(5-2)29(26,27)13-7-9-17(28-3)14(11-13)18(23)20-15-8-6-12(19)10-16(15)22(24)25/h6-11H,4-5H2,1-3H3,(H,20,23).
What are the key properties of N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide?
N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide has a molecular weight of 441.89 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)-2-methoxybenzamide is sourced from PubChem (CID 19257773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).