3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide

C22H21ClN2O4S — CID 39584336

IUPAC3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1)c1ccccc1
InChIInChI=1S/C22H21ClN2O4S/c1-3-25(18-9-5-4-6-10-18)22(26)16-8-7-11-19(14-16)30(27,28)24-20-15-17(23)12-13-21(20)29-2/h4-15,24H,3H2,1-2H3
InChIKeyOQDSOAXNBCYBRE-UHFFFAOYSA-N
MW444.94 g/mol
LogP4.82
Rot. Bonds7

About 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide (PubChem CID 39584336) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide
PubChem CID39584336
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC Name3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide
SMILESCCN(C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1)c1ccccc1
InChIInChI=1S/C22H21ClN2O4S/c1-3-25(18-9-5-4-6-10-18)22(26)16-8-7-11-19(14-16)30(27,28)24-20-15-17(23)12-13-21(20)29-2/h4-15,24H,3H2,1-2H3
InChIKeyOQDSOAXNBCYBRE-UHFFFAOYSA-N
XLogP4.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(1-cyanopropan-2-yl)-N-methylbenzamide
CID 56523456
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-ethylphenyl)benzamide
CID 46540697
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 46652166
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-methyl-N-(4-methylcyclohexyl)benzamide
CID 46601321
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-fluorophenyl)benzamide
CID 26584389
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 43002443
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[[1-(dimethylamino)cyclohexyl]methyl]benzamide
CID 24816551
N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[(3-methylthiophen-2-yl)methyl]benzamide
CID 30861039
3-[(5-chloro-2-phenoxyphenyl)sulfamoyl]benzoic acid
CID 45464935
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-[4-(methylcarbamoylamino)phenyl]benzamide
CID 55521474
N-(5-chloro-2-methoxyphenyl)-3-(ethylsulfamoyl)benzamide
CID 26582371

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide?
The IUPAC name of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide (CID 39584336) is 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide.
What is the SMILES notation for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide?
The canonical SMILES for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide is CCN(C(=O)c1cccc(S(=O)(=O)Nc2cc(Cl)ccc2OC)c1)c1ccccc1.
What is the InChIKey of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide?
The InChIKey is OQDSOAXNBCYBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-3-25(18-9-5-4-6-10-18)22(26)16-8-7-11-19(14-16)30(27,28)24-20-15-17(23)12-13-21(20)29-2/h4-15,24H,3H2,1-2H3.
What are the key properties of 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide?
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide has a molecular weight of 444.94 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-ethyl-N-phenylbenzamide is sourced from PubChem (CID 39584336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).