N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide

C23H23ClN2O5S — CID 42992560

IUPACN-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(C)c(Cl)cc3OC)cc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-4-31-18-9-7-17(8-10-18)26-32(28,29)19-11-5-16(6-12-19)23(27)25-21-13-15(2)20(24)14-22(21)30-3/h5-14,26H,4H2,1-3H3,(H,25,27)
InChIKeyNLUOMWANLAGEGJ-UHFFFAOYSA-N
MW474.97 g/mol
LogP5.11
Rot. Bonds8

About N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide

N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide (PubChem CID 42992560) has the molecular formula C23H23ClN2O5S and a molecular weight of 474.97 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
PubChem CID42992560
Molecular FormulaC23H23ClN2O5S
Molecular Weight474.97 g/mol
Exact Mass474.10
IUPAC NameN-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(C)c(Cl)cc3OC)cc2)cc1
InChIInChI=1S/C23H23ClN2O5S/c1-4-31-18-9-7-17(8-10-18)26-32(28,29)19-11-5-16(6-12-19)23(27)25-21-13-15(2)20(24)14-22(21)30-3/h5-14,26H,4H2,1-3H3,(H,25,27)
InChIKeyNLUOMWANLAGEGJ-UHFFFAOYSA-N
XLogP5.11
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.97
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 2553216
N-(2,3-dimethylphenyl)-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 26538532
4-chloro-3-[(3,4-dimethylphenyl)sulfamoyl]-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 126415208
3-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909558
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methoxyphenyl)benzamide
CID 27167584
N-(4-chloro-2-methoxy-5-methylphenyl)-4-iodobenzamide
CID 1297130
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-3-(methanesulfonamido)-4-methylbenzamide
CID 19062515
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
N-(4-chloro-2-methoxy-5-methylphenyl)-4-(difluoromethylsulfonyl)benzamide
CID 2668895
[4-[(4-chloro-2-methoxy-5-methylphenyl)carbamoyl]phenyl] acetate
CID 2233798
4-acetyl-N-(4-chloro-2-methoxy-5-methylphenyl)benzenesulfonamide
CID 7940785

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide (CID 42992560) is N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3cc(C)c(Cl)cc3OC)cc2)cc1.
What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide?
The InChIKey is NLUOMWANLAGEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O5S/c1-4-31-18-9-7-17(8-10-18)26-32(28,29)19-11-5-16(6-12-19)23(27)25-21-13-15(2)20(24)14-22(21)30-3/h5-14,26H,4H2,1-3H3,(H,25,27).
What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide?
N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide has a molecular weight of 474.97 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methoxy-5-methylphenyl)-4-[(4-ethoxyphenyl)sulfamoyl]benzamide is sourced from PubChem (CID 42992560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).