4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide

C22H18ClN3O5S — CID 58856179

IUPAC4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ccc1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C22H18ClN3O5S/c1-13-7-18(32(25,28)29)4-5-19(13)26-22(27)15-3-6-20(21(10-15)30-2)31-17-9-14(12-24)8-16(23)11-17/h3-11H,1-2H3,(H,26,27)(H2,25,28,29)
InChIKeyHTWJGGODAUPZQP-UHFFFAOYSA-N
MW471.92 g/mol
LogP4.22
Rot. Bonds6

About 4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide

4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide (PubChem CID 58856179) has the molecular formula C22H18ClN3O5S and a molecular weight of 471.92 g/mol. Its IUPAC name is 4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide
PubChem CID58856179
Molecular FormulaC22H18ClN3O5S
Molecular Weight471.92 g/mol
Exact Mass471.07
IUPAC Name4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide
SMILESCOc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ccc1Oc1cc(Cl)cc(C#N)c1
InChIInChI=1S/C22H18ClN3O5S/c1-13-7-18(32(25,28)29)4-5-19(13)26-22(27)15-3-6-20(21(10-15)30-2)31-17-9-14(12-24)8-16(23)11-17/h3-11H,1-2H3,(H,26,27)(H2,25,28,29)
InChIKeyHTWJGGODAUPZQP-UHFFFAOYSA-N
XLogP4.22
TPSA131.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.92
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-chloro-5-cyanophenoxy)-5-methoxyphenyl]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 67480750
2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]-N-(2-chloro-4-sulfamoylphenyl)acetamide
CID 21079637
2-[4-bromo-3-(3-cyano-5-methoxyphenoxy)-2-fluorophenoxy]-N-(2-methyl-4-sulfamoylphenyl)acetamide
CID 24967452
N-(4-chloro-2-methylphenyl)-4-sulfamoylbenzamide
CID 26698295
2-[4-[[2-[3-(3-chloro-5-cyanophenoxy)-4-methylphenyl]acetyl]amino]-3-methylphenyl]sulfonylacetic acid
CID 21079742
4-amino-N-(4-chloro-2-methylphenyl)-3-methoxybenzamide
CID 104782349
N-(2-chloro-4-methylphenyl)-2-methoxy-5-sulfamoylbenzamide
CID 55348812
methyl 2-[4-[(2,3-dimethyl-5-sulfamoylphenyl)carbamoyl]-2-methoxyphenoxy]acetate
CID 55791528
3,5-dichloro-N-(4-cyano-2-methoxyphenyl)benzamide
CID 104849139
4-amino-N-(4-cyano-2-methoxyphenyl)-3-methylbenzamide
CID 104847820
2-[2-(3-chloro-5-cyanophenoxy)-4-(trifluoromethoxy)phenoxy]-N-(2-methyl-6-sulfamoyl-3-pyridinyl)acetamide
CID 69077628
4-chloro-N-(2-chloro-4-sulfamoylphenyl)benzamide
CID 43134088

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide?
The IUPAC name of 4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide (CID 58856179) is 4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide.
What is the SMILES notation for 4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide?
The canonical SMILES for 4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide is COc1cc(C(=O)Nc2ccc(S(N)(=O)=O)cc2C)ccc1Oc1cc(Cl)cc(C#N)c1.
What is the InChIKey of 4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide?
The InChIKey is HTWJGGODAUPZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O5S/c1-13-7-18(32(25,28)29)4-5-19(13)26-22(27)15-3-6-20(21(10-15)30-2)31-17-9-14(12-24)8-16(23)11-17/h3-11H,1-2H3,(H,26,27)(H2,25,28,29).
What are the key properties of 4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide?
4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide has a molecular weight of 471.92 g/mol, XLogP of 4.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-5-cyanophenoxy)-3-methoxy-N-(2-methyl-4-sulfamoylphenyl)benzamide is sourced from PubChem (CID 58856179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).