2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide

C22H21ClN2O4S — CID 26676882

IUPAC2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccccc3)c2)c1
InChIInChI=1S/C22H21ClN2O4S/c1-16-6-5-7-17(14-16)25-30(27,28)19-10-11-21(23)20(15-19)22(26)24-12-13-29-18-8-3-2-4-9-18/h2-11,14-15,25H,12-13H2,1H3,(H,24,26)
InChIKeyWJUVKTTVPQDSSI-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.26
Rot. Bonds8

About 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide

2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide (PubChem CID 26676882) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide.

Molecular Properties

Compound Name2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
PubChem CID26676882
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide
SMILESCc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccccc3)c2)c1
InChIInChI=1S/C22H21ClN2O4S/c1-16-6-5-7-17(14-16)25-30(27,28)19-10-11-21(23)20(15-19)22(26)24-12-13-29-18-8-3-2-4-9-18/h2-11,14-15,25H,12-13H2,1H3,(H,24,26)
InChIKeyWJUVKTTVPQDSSI-UHFFFAOYSA-N
XLogP4.26
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[2-(3-fluorophenoxy)ethyl]-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 55657410
2-chloro-N-(3-methylphenyl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 1310313
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009499
N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-(propan-2-ylsulfamoyl)benzamide
CID 60549183
2-chloro-5-[(3-methylphenyl)sulfamoyl]benzoate
CID 6921137
2-chloro-N-(1-methoxypropan-2-yl)-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 18161222
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 25407688
2-chloro-5-(diethylsulfamoyl)-N-[3-(3-methylphenoxy)propyl]benzamide
CID 42575730
N-[2-(3-bromophenoxy)ethyl]-2-chloro-5-methylsulfonylbenzamide
CID 55921133
5-[(2-fluorophenyl)sulfamoyl]-2-methyl-N-[3-(3-methylphenoxy)propyl]benzamide
CID 24533372
2-chloro-5-(2-phenoxyethylsulfamoyl)-N-prop-2-ynylbenzamide
CID 24633320
5-(benzylsulfamoyl)-2-methyl-N-[2-(3-methylphenoxy)ethyl]benzamide
CID 27859379

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide?
The IUPAC name of 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide (CID 26676882) is 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide.
What is the SMILES notation for 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide?
The canonical SMILES for 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide is Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccccc3)c2)c1.
What is the InChIKey of 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide?
The InChIKey is WJUVKTTVPQDSSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-16-6-5-7-17(14-16)25-30(27,28)19-10-11-21(23)20(15-19)22(26)24-12-13-29-18-8-3-2-4-9-18/h2-11,14-15,25H,12-13H2,1H3,(H,24,26).
What are the key properties of 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide?
2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide has a molecular weight of 444.94 g/mol, XLogP of 4.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3-methylphenyl)sulfamoyl]-N-(2-phenoxyethyl)benzamide is sourced from PubChem (CID 26676882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).