3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide

C22H20Cl2N2O4S — CID 29436777

IUPAC3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2ccccc2Cl)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C22H20Cl2N2O4S/c1-30-20-12-11-16(25-22(27)13-10-15-6-2-3-7-17(15)23)14-21(20)31(28,29)26-19-9-5-4-8-18(19)24/h2-9,11-12,14,26H,10,13H2,1H3,(H,25,27)
InChIKeyUAEYKYKOFUTHAG-UHFFFAOYSA-N
MW479.39 g/mol
LogP5.37
Rot. Bonds8

About 3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide

3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide (PubChem CID 29436777) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide
PubChem CID29436777
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC Name3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide
SMILESCOc1ccc(NC(=O)CCc2ccccc2Cl)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C22H20Cl2N2O4S/c1-30-20-12-11-16(25-22(27)13-10-15-6-2-3-7-17(15)23)14-21(20)31(28,29)26-19-9-5-4-8-18(19)24/h2-9,11-12,14,26H,10,13H2,1H3,(H,25,27)
InChIKeyUAEYKYKOFUTHAG-UHFFFAOYSA-N
XLogP5.37
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.39
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 34082229
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-naphthalen-2-yloxyacetamide
CID 24637106
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 3911593
5-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-methoxybenzamide
CID 26851730
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 5179877
3-(2-chlorophenyl)-N-(2-methoxyphenyl)propanamide
CID 17178984
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 4312419
3-(2-chloroanilino)-N-(3-chloro-4-methoxyphenyl)propanamide
CID 109037877
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1H-indol-3-yl)propanamide
CID 3938486
N-[3-[[2-(aminomethyl)phenyl]sulfamoyl]-4-methoxyphenyl]acetamide
CID 167948439
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-5-methylsulfanylbenzamide
CID 24637119
3-(2,3-dichlorophenyl)-N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 38905184

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide (CID 29436777) is 3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide is COc1ccc(NC(=O)CCc2ccccc2Cl)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide?
The InChIKey is UAEYKYKOFUTHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c1-30-20-12-11-16(25-22(27)13-10-15-6-2-3-7-17(15)23)14-21(20)31(28,29)26-19-9-5-4-8-18(19)24/h2-9,11-12,14,26H,10,13H2,1H3,(H,25,27).
What are the key properties of 3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide?
3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide has a molecular weight of 479.39 g/mol, XLogP of 5.37, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide is sourced from PubChem (CID 29436777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).