4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide

C24H23ClN2O8S — CID 164616680

IUPAC4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1ccccc1C(=O)NS(=O)(=O)c1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1Cl
InChIInChI=1S/C24H23ClN2O8S/c1-32-18-8-6-5-7-16(18)24(29)27-36(30,31)21-11-14(9-10-17(21)25)23(28)26-15-12-19(33-2)22(35-4)20(13-15)34-3/h5-13H,1-4H3,(H,26,28)(H,27,29)
InChIKeyYMAHEYUBRGOHNV-UHFFFAOYSA-N
MW534.97 g/mol
LogP3.75
Rot. Bonds9

About 4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide

4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 164616680) has the molecular formula C24H23ClN2O8S and a molecular weight of 534.97 g/mol. Its IUPAC name is 4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID164616680
Molecular FormulaC24H23ClN2O8S
Molecular Weight534.97 g/mol
Exact Mass534.09
IUPAC Name4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1ccccc1C(=O)NS(=O)(=O)c1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1Cl
InChIInChI=1S/C24H23ClN2O8S/c1-32-18-8-6-5-7-16(18)24(29)27-36(30,31)21-11-14(9-10-17(21)25)23(28)26-15-12-19(33-2)22(35-4)20(13-15)34-3/h5-13H,1-4H3,(H,26,28)(H,27,29)
InChIKeyYMAHEYUBRGOHNV-UHFFFAOYSA-N
XLogP3.75
TPSA129.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.97
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[(E)-but-2-enoyl]sulfamoyl]-4-chloro-N-(3,4,5-trimethoxyphenyl)benzamide
CID 164616717
4-chloro-3-(dimethylsulfamoyl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 26102014
2-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 7741659
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
N-(3,4,5-trimethoxyphenyl)naphthalene-2-carboxamide
CID 7741667
N-(5-acetamido-2-methoxyphenyl)sulfonyl-2-methoxybenzamide
CID 75401840
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24537222
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
4-chloro-N-(3,4-dimethoxyphenyl)-3-sulfamoylbenzamide
CID 26695102
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26589777
methyl 4-chloro-3-[(2-methoxybenzoyl)amino]benzoate
CID 926199

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide (CID 164616680) is 4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide is COc1ccccc1C(=O)NS(=O)(=O)c1cc(C(=O)Nc2cc(OC)c(OC)c(OC)c2)ccc1Cl.
What is the InChIKey of 4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is YMAHEYUBRGOHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O8S/c1-32-18-8-6-5-7-16(18)24(29)27-36(30,31)21-11-14(9-10-17(21)25)23(28)26-15-12-19(33-2)22(35-4)20(13-15)34-3/h5-13H,1-4H3,(H,26,28)(H,27,29).
What are the key properties of 4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide?
4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 534.97 g/mol, XLogP of 3.75, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-[(2-methoxybenzoyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 164616680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).