2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide

C23H23ClN2O4S — CID 92671640

IUPAC2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-3-30-19-9-6-17(7-10-19)15-25-23(27)21-14-18(8-13-22(21)24)26-31(28,29)20-11-4-16(2)5-12-20/h4-14,26H,3,15H2,1-2H3,(H,25,27)
InChIKeyPLXFGOYKGBJQAD-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.78
Rot. Bonds8

About 2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide

2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 92671640) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID92671640
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-3-30-19-9-6-17(7-10-19)15-25-23(27)21-14-18(8-13-22(21)24)26-31(28,29)20-11-4-16(2)5-12-20/h4-14,26H,3,15H2,1-2H3,(H,25,27)
InChIKeyPLXFGOYKGBJQAD-UHFFFAOYSA-N
XLogP4.78
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-nitrophenyl)methyl]benzamide
CID 55946422
2-chloro-N-[(3-methylphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 46772238
2-[4-[(4-ethoxyphenyl)sulfamoyl]phenoxy]-N-[(4-methylphenyl)methyl]acetamide
CID 3943831
2-chloro-5-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 35546601
2-chloro-5-[(4-methylphenyl)sulfonylamino]-N-[(4-morpholin-4-ylphenyl)methyl]benzamide
CID 92680117
2-chloro-N-[(2,4-dichlorophenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 92682038
2-chloro-N-[(5-chlorothiophen-2-yl)methyl]-5-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 32833050
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 171146148
N-[[4-(ethoxymethyl)phenyl]methyl]-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
CID 30874214
3-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909558
2-chloro-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 99952414

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of 2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide (CID 92671640) is 2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for 2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for 2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide is CCOc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1.
What is the InChIKey of 2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is PLXFGOYKGBJQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-3-30-19-9-6-17(7-10-19)15-25-23(27)21-14-18(8-13-22(21)24)26-31(28,29)20-11-4-16(2)5-12-20/h4-14,26H,3,15H2,1-2H3,(H,25,27).
What are the key properties of 2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide?
2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 458.97 g/mol, XLogP of 4.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-ethoxyphenyl)methyl]-5-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 92671640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).