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

C17H17Cl2N3O5S — CID 5193186

IUPAC2-chloro-N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C17H17Cl2N3O5S/c1-3-21(4-2)28(26,27)12-6-7-14(19)13(10-12)17(23)20-15-8-5-11(18)9-16(15)22(24)25/h5-10H,3-4H2,1-2H3,(H,20,23)
InChIKeyWWRMTCUARDXEIK-UHFFFAOYSA-N
MW446.31 g/mol
LogP4.18
Rot. Bonds7

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

2-chloro-N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)benzamide (PubChem CID 5193186) has the molecular formula C17H17Cl2N3O5S and a molecular weight of 446.31 g/mol. Its IUPAC name is 2-chloro-N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)benzamide
PubChem CID5193186
Molecular FormulaC17H17Cl2N3O5S
Molecular Weight446.31 g/mol
Exact Mass445.03
IUPAC Name2-chloro-N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)benzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1
InChIInChI=1S/C17H17Cl2N3O5S/c1-3-21(4-2)28(26,27)12-6-7-14(19)13(10-12)17(23)20-15-8-5-11(18)9-16(15)22(24)25/h5-10H,3-4H2,1-2H3,(H,20,23)
InChIKeyWWRMTCUARDXEIK-UHFFFAOYSA-N
XLogP4.18
TPSA109.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.31
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-chloro-5-[(dimethylamino)sulfonyl]-N-(3-nitrophenyl)benzamide
CID 1310207
N-[5-chloro-2-(4-methylpiperazin-1-yl)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 2125110
N-[4-(butylsulfamoyl)phenyl]-2-chloro-5-nitrobenzamide
CID 2187319
2-chloro-N-{4-[(dibutylamino)sulfonyl]phenyl}-4-nitrobenzamide
CID 2188356
N-[5-chloro-2-(4-methyl-1-piperazinyl)phenyl]-3-(dimethylsulfamoyl)benzamide
CID 2670170
2-chloro-5-[(dimethylamino)sulfonyl]-N-(2-nitrophenyl)benzamide
CID 2940613
N-[4-(butan-2-ylsulfamoyl)phenyl]-2-chloro-4-nitrobenzamide
CID 2947807
3-[(dimethylamino)sulfonyl]-N-(2-nitrophenyl)benzamide
CID 2965965
2-chloro-5-(4-ethylpiperazin-1-yl)sulfonyl-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16265352
4-(dipropylsulfamoyl)-N-(2-nitrophenyl)benzamide
CID 118706961
2-Chloro-5-[(diethylamino)sulfonyl]-N-phenylbenzamide
CID 1079123
2-chloro-5-[ethyl(phenyl)sulfamoyl]-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 16327855

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)benzamide?
The IUPAC name of 2-chloro-N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)benzamide (CID 5193186) is 2-chloro-N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)benzamide.
What is the SMILES notation for 2-chloro-N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)benzamide?
The canonical SMILES for 2-chloro-N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)benzamide is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1.
What is the InChIKey of 2-chloro-N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)benzamide?
The InChIKey is WWRMTCUARDXEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O5S/c1-3-21(4-2)28(26,27)12-6-7-14(19)13(10-12)17(23)20-15-8-5-11(18)9-16(15)22(24)25/h5-10H,3-4H2,1-2H3,(H,20,23).
What are the key properties of 2-chloro-N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)benzamide?
2-chloro-N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)benzamide has a molecular weight of 446.31 g/mol, XLogP of 4.18, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(4-chloro-2-nitrophenyl)-5-(diethylsulfamoyl)benzamide is sourced from PubChem (CID 5193186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).