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

C21H19ClN2O5S — CID 46525468

IUPAC4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C21H19ClN2O5S/c1-28-18-9-5-3-7-16(18)23-21(25)14-11-12-15(22)20(13-14)30(26,27)24-17-8-4-6-10-19(17)29-2/h3-13,24H,1-2H3,(H,23,25)
InChIKeyKKQZZXLOACLHRZ-UHFFFAOYSA-N
MW446.91 g/mol
LogP4.41
Rot. Bonds7

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

4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide (PubChem CID 46525468) has the molecular formula C21H19ClN2O5S and a molecular weight of 446.91 g/mol. Its IUPAC name is 4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
PubChem CID46525468
Molecular FormulaC21H19ClN2O5S
Molecular Weight446.91 g/mol
Exact Mass446.07
IUPAC Name4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
SMILESCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1
InChIInChI=1S/C21H19ClN2O5S/c1-28-18-9-5-3-7-16(18)23-21(25)14-11-12-15(22)20(13-14)30(26,27)24-17-8-4-6-10-19(17)29-2/h3-13,24H,1-2H3,(H,23,25)
InChIKeyKKQZZXLOACLHRZ-UHFFFAOYSA-N
XLogP4.41
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.91
LogP ≤ 54.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-(3-chloro-2-methylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26589777
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
4-chloro-N-[2-hydroxy-5-[(2-methoxyphenyl)sulfamoyl]phenyl]-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 4097318
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
2-chloro-N-(2-methoxyphenyl)-5-[[(2-methoxypyridine-3-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 46556857
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 4846593
methyl 6-[[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzoyl]amino]hexanoate
CID 31840810
4-chloro-N-(furan-2-ylmethyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46422535
4-chloro-3-[(2,4-dimethylphenyl)sulfamoyl]-N-(2-ethoxyphenyl)benzamide
CID 126387173
N-(1-benzylpyrazol-4-yl)-4-chloro-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 55947709
N-(5-chloro-2-hydroxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 56581281

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of 4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide (CID 46525468) is 4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for 4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for 4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide is COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2OC)c1.
What is the InChIKey of 4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
The InChIKey is KKQZZXLOACLHRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O5S/c1-28-18-9-5-3-7-16(18)23-21(25)14-11-12-15(22)20(13-14)30(26,27)24-17-8-4-6-10-19(17)29-2/h3-13,24H,1-2H3,(H,23,25).
What are the key properties of 4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide?
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide has a molecular weight of 446.91 g/mol, XLogP of 4.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 46525468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).