4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide

C22H21ClN2O6S — CID 24537222

IUPAC4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(OC)cc(OC)c3)ccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O6S/c1-29-17-7-5-15(6-8-17)25-32(27,28)21-10-14(4-9-20(21)23)22(26)24-16-11-18(30-2)13-19(12-16)31-3/h4-13,25H,1-3H3,(H,24,26)
InChIKeyKCSDGYKCXDNBMT-UHFFFAOYSA-N
MW476.94 g/mol
LogP4.42
Rot. Bonds8

About 4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide

4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 24537222) has the molecular formula C22H21ClN2O6S and a molecular weight of 476.94 g/mol. Its IUPAC name is 4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
PubChem CID24537222
Molecular FormulaC22H21ClN2O6S
Molecular Weight476.94 g/mol
Exact Mass476.08
IUPAC Name4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(OC)cc(OC)c3)ccc2Cl)cc1
InChIInChI=1S/C22H21ClN2O6S/c1-29-17-7-5-15(6-8-17)25-32(27,28)21-10-14(4-9-20(21)23)22(26)24-16-11-18(30-2)13-19(12-16)31-3/h4-13,25H,1-3H3,(H,24,26)
InChIKeyKCSDGYKCXDNBMT-UHFFFAOYSA-N
XLogP4.42
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.94
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-3-[(4-fluorophenyl)sulfamoyl]-N-(4-methoxyphenyl)benzamide
CID 27228973
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-phenylbenzamide
CID 1102140
4-chloro-3-[(4-methoxyphenyl)sulfamoyl]-N-propan-2-ylbenzamide
CID 24539437
4-chloro-N-(3,5-dimethylphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 5006992
4-chloro-N-[(2-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24536359
3-(benzylsulfamoyl)-4-chloro-N-(4-methoxyphenyl)benzamide
CID 24536240
4-chloro-3-[(4-chlorophenyl)sulfamoyl]-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 55959975
3-[(4-methoxyphenyl)sulfamoyl]-4-methyl-N-phenylbenzamide
CID 1039728
4-chloro-N-(3,4-dimethylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 3525089
4-chloro-N-[(1R)-1-(4-methoxyphenyl)ethyl]-3-(phenylsulfamoyl)benzamide
CID 99951817
N-(4-amino-3,5-dichlorophenyl)-4-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 24563955
N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]furan-2-carboxamide
CID 3995207

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide (CID 24537222) is 4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide is COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(OC)cc(OC)c3)ccc2Cl)cc1.
What is the InChIKey of 4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is KCSDGYKCXDNBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O6S/c1-29-17-7-5-15(6-8-17)25-32(27,28)21-10-14(4-9-20(21)23)22(26)24-16-11-18(30-2)13-19(12-16)31-3/h4-13,25H,1-3H3,(H,24,26).
What are the key properties of 4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide?
4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 476.94 g/mol, XLogP of 4.42, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3,5-dimethoxyphenyl)-3-[(4-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 24537222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).