4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide

C21H18Cl2N2O4S — CID 26589777

IUPAC4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2C)ccc1Cl
InChIInChI=1S/C21H18Cl2N2O4S/c1-13-15(22)6-5-8-17(13)24-21(26)14-10-11-16(23)20(12-14)30(27,28)25-18-7-3-4-9-19(18)29-2/h3-12,25H,1-2H3,(H,24,26)
InChIKeyUQFDZUYSTFKDEI-UHFFFAOYSA-N
MW465.36 g/mol
LogP5.36
Rot. Bonds6

About 4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide

4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 26589777) has the molecular formula C21H18Cl2N2O4S and a molecular weight of 465.36 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID26589777
Molecular FormulaC21H18Cl2N2O4S
Molecular Weight465.36 g/mol
Exact Mass464.04
IUPAC Name4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2C)ccc1Cl
InChIInChI=1S/C21H18Cl2N2O4S/c1-13-15(22)6-5-8-17(13)24-21(26)14-10-11-16(23)20(12-14)30(27,28)25-18-7-3-4-9-19(18)29-2/h3-12,25H,1-2H3,(H,24,26)
InChIKeyUQFDZUYSTFKDEI-UHFFFAOYSA-N
XLogP5.36
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.36
LogP ≤ 55.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
4-chloro-N-(3-chloro-2-methylphenyl)-3-(phenylsulfamoyl)benzamide
CID 3288901
N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2687808
4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318
N-(3-chloro-2-methylphenyl)-4-methoxy-3-sulfamoylbenzamide
CID 36862429
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 4846593
3-chloro-N-(3-chloro-2-methylphenyl)-4-methoxybenzamide
CID 798477
4-chloro-3-[(2-methoxyphenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064210
N-(1,3-benzothiazol-2-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 35993548
N-(3-chloro-2-methylphenyl)-3-[(3,4-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 126414925
2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 46556857

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 26589777) is 4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2C)ccc1Cl.
What is the InChIKey of 4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is UQFDZUYSTFKDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O4S/c1-13-15(22)6-5-8-17(13)24-21(26)14-10-11-16(23)20(12-14)30(27,28)25-18-7-3-4-9-19(18)29-2/h3-12,25H,1-2H3,(H,24,26).
What are the key properties of 4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 465.36 g/mol, XLogP of 5.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 26589777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).